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

Systemtic Name: (2S)-N-(4-methylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(p-tolyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-N-(4-methylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(p-tolyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C17H17N5OS MolecularWeight: 339.41478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C17H17N5OS/c1-11-3-5-14(6-4-11)19-16(23)12(2)24-17-20-15(21-22-17)13-7-9-18-10-8-13/h3-10,12H,1-2H3,(H,19,23)(H,20,21,22)/t12-/m0/s1