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

Systemtic Name: 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)ethanamide Openeye Name: N-isobutyl-2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide Traditional Name: N-isobutyl-2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H23N5OS MolecularWeight: 381.49452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NCC(C)C)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NCC(C)C)C3=CC=NC=C3

InChI

InChI=1S/C20H23N5OS/c1-14(2)12-22-18(26)13-27-20-24-23-19(16-8-10-21-11-9-16)25(20)17-7-5-4-6-15(17)3/h4-11,14H,12-13H2,1-3H3,(H,22,26)