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

Systemtic Name: 3-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[4-(p-tolyl)-5-(4-pyridyl)-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)N2C(=NN=C2SCCC(=O)N)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)N)C3=CC=NC=C3

InChI

InChI=1S/C17H17N5OS/c1-12-2-4-14(5-3-12)22-16(13-6-9-19-10-7-13)20-21-17(22)24-11-8-15(18)23/h2-7,9-10H,8,11H2,1H3,(H2,18,23)