3-[3-(1,3-benzodioxol-4-yl)-4-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2-chlorophenyl)propanamide

Systemtic Name: 3-[3-(1,3-benzodioxol-4-yl)-4-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2-chlorophenyl)propanamide Openeye Name: 3-[3-(1,3-benzodioxol-4-yl)-4-(p-tolyl)-5-thioxo-1,2,4-triazol-1-yl]-N-(2-chlorophenyl)propanamide CAS Name: 3-[3-(1,3-benzodioxol-4-yl)-4-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2-chlorophenyl)propanamide IUPAC Name: 3-[3-(1,3-benzodioxol-4-yl)-4-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2-chlorophenyl)propanamide Traditional Name: 3-[3-(1,3-benzodioxol-4-yl)-4-(p-tolyl)-5-thioxo-1,2,4-triazol-1-yl]-N-(2-chlorophenyl)propionamide Formula: C25H21ClN4O3S MolecularWeight: 492.97724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=S)CCC(=O)NC3=CC=CC=C3Cl)C4=C5C(=CC=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=S)CCC(=O)NC3=CC=CC=C3Cl)C4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C25H21ClN4O3S/c1-16-9-11-17(12-10-16)30-24(18-5-4-8-21-23(18)33-15-32-21)28-29(25(30)34)14-13-22(31)27-20-7-3-2-6-19(20)26/h2-12H,13-15H2,1H3,(H,27,31)