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

Systemtic Name: (2S)-2-[(4-azanyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)propanamide Openeye Name: (2S)-2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(o-tolyl)propanamide CAS Name: (2S)-2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]-N-(2-methylphenyl)propanamide IUPAC Name: (2S)-2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)propanamide Traditional Name: (2S)-2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]-N-(o-tolyl)propionamide Formula: C15H21N5OS MolecularWeight: 319.42514

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N)SC(C)C(=O)NC2=CC=CC=C2C

Isomeric SMILES

CCCC1=NN=C(N1N)S[C@@H](C)C(=O)NC2=CC=CC=C2C

InChI

InChI=1S/C15H21N5OS/c1-4-7-13-18-19-15(20(13)16)22-11(3)14(21)17-12-9-6-5-8-10(12)2/h5-6,8-9,11H,4,7,16H2,1-3H3,(H,17,21)/t11-/m0/s1