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

Systemtic Name: N-(3-methylphenyl)-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-isobutyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(m-tolyl)propanamide CAS Name: N-(3-methylphenyl)-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(3-methylphenyl)-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[4-isobutyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(m-tolyl)propionamide Formula: C21H25N5OS MolecularWeight: 395.5211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NN=C(N2CC(C)C)C3=CC=NC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NN=C(N2CC(C)C)C3=CC=NC=C3

InChI

InChI=1S/C21H25N5OS/c1-14(2)13-26-19(17-8-10-22-11-9-17)24-25-21(26)28-16(4)20(27)23-18-7-5-6-15(3)12-18/h5-12,14,16H,13H2,1-4H3,(H,23,27)