4-[[5-(benzimidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-N-phenyl-butanamide

Systemtic Name: 4-[[5-(benzimidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-N-phenyl-butanamide Openeye Name: 4-[[5-(benzimidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-N-phenyl-butanamide CAS Name: 4-[[5-(1-benzimidazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-3-oxo-N-phenylbutanamide IUPAC Name: 4-[[5-(benzimidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-N-phenylbutanamide Traditional Name: 4-[[5-(benzimidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-3-keto-N-phenyl-butyramide Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)CC(=O)NC2=CC=CC=C2)CN3C=NC4=CC=CC=C43

Isomeric SMILES

CN1C(=NN=C1SCC(=O)CC(=O)NC2=CC=CC=C2)CN3C=NC4=CC=CC=C43

InChI

InChI=1S/C21H20N6O2S/c1-26-19(12-27-14-22-17-9-5-6-10-18(17)27)24-25-21(26)30-13-16(28)11-20(29)23-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,23,29)