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

Systemtic Name: (2S)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)propanamide Openeye Name: (2S)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(m-tolyl)propanamide CAS Name: (2S)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-(3-methylphenyl)propanamide IUPAC Name: (2S)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)propanamide Traditional Name: (2S)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-(m-tolyl)propionamide Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NN=C(N2C)C3CC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)SC2=NN=C(N2C)C3CC3

InChI

InChI=1S/C16H20N4OS/c1-10-5-4-6-13(9-10)17-15(21)11(2)22-16-19-18-14(20(16)3)12-7-8-12/h4-6,9,11-12H,7-8H2,1-3H3,(H,17,21)/t11-/m0/s1