(2S)-N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

Systemtic Name: (2S)-N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Openeye Name: (2S)-N-(m-tolyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide CAS Name: (2S)-N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)propanamide IUPAC Name: (2S)-N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Traditional Name: (2S)-N-(m-tolyl)-2-(1H-1,2,4-triazol-5-ylthio)propionamide Formula: C12H14N4OS MolecularWeight: 262.33076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NC=NN2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)SC2=NC=NN2

InChI

InChI=1S/C12H14N4OS/c1-8-4-3-5-10(6-8)15-11(17)9(2)18-12-13-7-14-16-12/h3-7,9H,1-2H3,(H,15,17)(H,13,14,16)/t9-/m0/s1