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

Systemtic Name: (2S)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide Openeye Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(p-tolyl)propanamide CAS Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(4-methylphenyl)propanamide IUPAC Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide Traditional Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(p-tolyl)propionamide Formula: C12H15N5OS MolecularWeight: 277.3454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NNC(=N2)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NNC(=N2)N

InChI

InChI=1S/C12H15N5OS/c1-7-3-5-9(6-4-7)14-10(18)8(2)19-12-15-11(13)16-17-12/h3-6,8H,1-2H3,(H,14,18)(H3,13,15,16,17)/t8-/m0/s1