2-[[5-(benzimidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[5-(1-benzimidazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C19H17N7O3S MolecularWeight: 423.44838

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CN3C=NC4=CC=CC=C43

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CN3C=NC4=CC=CC=C43

InChI

InChI=1S/C19H17N7O3S/c1-24-17(10-25-12-20-15-4-2-3-5-16(15)25)22-23-19(24)30-11-18(27)21-13-6-8-14(9-7-13)26(28)29/h2-9,12H,10-11H2,1H3,(H,21,27)