(2S)-N-(2-bromanyl-4-methyl-phenyl)-2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-(2-bromanyl-4-methyl-phenyl)-2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C15H17BrN4O2S MolecularWeight: 397.29008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NNC(=O)N2C3CC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)SC2=NNC(=O)N2C3CC3)Br

InChI

InChI=1S/C15H17BrN4O2S/c1-8-3-6-12(11(16)7-8)17-13(21)9(2)23-15-19-18-14(22)20(15)10-4-5-10/h3,6-7,9-10H,4-5H2,1-2H3,(H,17,21)(H,18,22)/t9-/m0/s1