2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide

Formula:C22H17N7O3S Mutagenic:low Tumorigenic:none Reproductive Effective:none 2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is a drug-like molecule.

MolName	2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
MolecularFormula	C22H17N7O3S
Smiles	[O-][N+](c1cccc(-c(n2-c3ccccc3)nnc2SCC(N/N=C\c2ncccc2)=O)c1)=O
InChI	InChI=1S/C22H17N7O3S/c30-20(25-24-14-17-8-4-5-12-23-17)15-33-22-27-26-21(28(22)18-9-2-1-3-10-18)16-7-6-11-19(13-16)29(31)32/h1-14H,15H2,(H,25,30)
InChIK	CDBNSUGQKLHTSL-UHFFFAOYSA-N
TotalMolweight	459.489
Molweight	459.489
MonoisotopicMass	459.111358
CLogP	2.6633
CLogS	-8.105
H Acceptors	10
H Donors	1
TotalSurfaceArea	346.91
Relative PSA	0.35658
PolarSurfaceArea	156.18
Druglikeness	0.30503
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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1 - 2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide | 2 - 2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide

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