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

Systemtic Name: (2S)-2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide Openeye Name: (2S)-2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(p-tolyl)propanamide CAS Name: (2S)-2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-N-(4-methylphenyl)propanamide IUPAC Name: (2S)-2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide Traditional Name: (2S)-2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-N-(p-tolyl)propionamide Formula: C16H23N5OS MolecularWeight: 333.45172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5OS/c1-10-6-8-12(9-7-10)18-13(22)11(2)23-15-20-19-14(21(15)17)16(3,4)5/h6-9,11H,17H2,1-5H3,(H,18,22)/t11-/m0/s1