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

Systemtic Name: (2S)-2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)propanamide Openeye Name: (2S)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(m-tolyl)propanamide CAS Name: (2S)-2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(3-methylphenyl)propanamide IUPAC Name: (2S)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)propanamide Traditional Name: (2S)-2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(m-tolyl)propionamide Formula: C12H15N5OS MolecularWeight: 277.3454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NN=CN2N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)SC2=NN=CN2N

InChI

InChI=1S/C12H15N5OS/c1-8-4-3-5-10(6-8)15-11(18)9(2)19-12-16-14-7-17(12)13/h3-7,9H,13H2,1-2H3,(H,15,18)/t9-/m0/s1