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

Systemtic Name: (2S)-N-(2-methylphenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(o-tolyl)propanamide CAS Name: (2S)-N-(2-methylphenyl)-2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2S)-N-(2-methylphenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(o-tolyl)propionamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2C)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H](C)SC2=NN=C(N2C)C3=CN=CC=C3

InChI

InChI=1S/C18H19N5OS/c1-12-7-4-5-9-15(12)20-17(24)13(2)25-18-22-21-16(23(18)3)14-8-6-10-19-11-14/h4-11,13H,1-3H3,(H,20,24)/t13-/m0/s1