(2S)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)propanamide

Systemtic Name: (2S)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)propanamide Openeye Name: (2S)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(o-tolyl)propanamide CAS Name: (2S)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-N-(2-methylphenyl)propanamide IUPAC Name: (2S)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)propanamide Traditional Name: (2S)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-N-(o-tolyl)propionamide Formula: C15H18N4OS MolecularWeight: 302.39462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)SC2=NNC(=N2)C3CC3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H](C)SC2=NNC(=N2)C3CC3

InChI

InChI=1S/C15H18N4OS/c1-9-5-3-4-6-12(9)16-14(20)10(2)21-15-17-13(18-19-15)11-7-8-11/h3-6,10-11H,7-8H2,1-2H3,(H,16,20)(H,17,18,19)/t10-/m0/s1