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

Systemtic Name: 4-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-N-phenyl-butanamide Openeye Name: 4-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-N-phenyl-butanamide CAS Name: 4-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-3-oxo-N-phenylbutanamide IUPAC Name: 4-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-N-phenylbutanamide Traditional Name: 4-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]-3-keto-N-phenyl-butyramide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O2S/c1-15-22-23-20(24(15)13-16-8-4-2-5-9-16)27-14-18(25)12-19(26)21-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3,(H,21,26)