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

Systemtic Name: 2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide CAS Name: 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide Traditional Name: N-benzyl-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]butyramide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-2-18(19(26)22-15-17-11-7-4-8-12-17)28-21-24-23-20(27)25(21)14-13-16-9-5-3-6-10-16/h3-12,18H,2,13-15H2,1H3,(H,22,26)(H,23,27)