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

Systemtic Name: (2R)-2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)butanamide Openeye Name: (2R)-N-benzyl-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide CAS Name: (2R)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(phenylmethyl)butanamide IUPAC Name: (2R)-N-benzyl-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide Traditional Name: (2R)-N-benzyl-2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]butyramide Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2S/c1-2-13(14(21)17-10-11-6-4-3-5-7-11)23-16-19-18-15(22)20(16)12-8-9-12/h3-7,12-13H,2,8-10H2,1H3,(H,17,21)(H,18,22)/t13-/m1/s1