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

Systemtic Name: (2R)-2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-N-(phenylmethyl)butanamide Openeye Name: (2R)-N-benzyl-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-butanamide CAS Name: (2R)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-3-methyl-N-(phenylmethyl)butanamide IUPAC Name: (2R)-N-benzyl-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-3-methylbutanamide Traditional Name: (2R)-N-benzyl-2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-3-methyl-butyramide Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CC=C1)SC2=NNC(=O)N2C3CC3

Isomeric SMILES

CC(C)[C@H](C(=O)NCC1=CC=CC=C1)SC2=NNC(=O)N2C3CC3

InChI

InChI=1S/C17H22N4O2S/c1-11(2)14(15(22)18-10-12-6-4-3-5-7-12)24-17-20-19-16(23)21(17)13-8-9-13/h3-7,11,13-14H,8-10H2,1-2H3,(H,18,22)(H,19,23)/t14-/m1/s1