N-(2-cyano-4-nitro-phenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C23H16N6O3S MolecularWeight: 456.47654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C23H16N6O3S/c24-14-17-13-19(29(31)32)11-12-20(17)25-21(30)15-33-23-27-26-22(16-7-3-1-4-8-16)28(23)18-9-5-2-6-10-18/h1-13H,15H2,(H,25,30)