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

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyano-4-nitro-phenyl)acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyano-4-nitrophenyl)acetamide Traditional Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-(2-cyano-4-nitro-phenyl)acetamide Formula: C19H16N6O3S MolecularWeight: 408.43374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)CC3=CC=CC=C3

InChI

InChI=1S/C19H16N6O3S/c1-24-17(9-13-5-3-2-4-6-13)22-23-19(24)29-12-18(26)21-16-8-7-15(25(27)28)10-14(16)11-20/h2-8,10H,9,12H2,1H3,(H,21,26)