2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide

Formula:C23H18N6O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
MolecularFormula	C23H18N6O3S
Smiles	[O-][N+](c1cccc(/C=N\NC(CSc2nnc(-c3ccccc3)n2-c2ccccc2)=O)c1)=O
InChI	InChI=1S/C23H18N6O3S/c30-21(25-24-15-17-8-7-13-20(14-17)29(31)32)16-33-23-27-26-22(18-9-3-1-4-10-18)28(23)19-11-5-2-6-12-19/h1-15H,16H2,(H,25,30)
InChIK	NWTFBYNMONUJFL-UHFFFAOYSA-N
TotalMolweight	458.501
Molweight	458.501
MonoisotopicMass	458.116109
CLogP	3.6102
CLogS	-8.876
H Acceptors	9
H Donors	1
TotalSurfaceArea	348.15
Relative PSA	0.3238
PolarSurfaceArea	143.29
Druglikeness	0.30503
Mutagenic	none
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	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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1 - 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide | 2 - 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide

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