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

Systemtic Name: (2S)-2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)propanamide Openeye Name: (2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(m-tolyl)propanamide CAS Name: (2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-(3-methylphenyl)propanamide IUPAC Name: (2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)propanamide Traditional Name: (2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-(m-tolyl)propionamide Formula: C13H17N5OS MolecularWeight: 291.37198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NN=C(N2N)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)SC2=NN=C(N2N)C

InChI

InChI=1S/C13H17N5OS/c1-8-5-4-6-11(7-8)15-12(19)9(2)20-13-17-16-10(3)18(13)14/h4-7,9H,14H2,1-3H3,(H,15,19)/t9-/m0/s1