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

Systemtic Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-propoxyphenyl)propanamide Openeye Name: N-(2-propoxyphenyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-propoxyphenyl)propanamide IUPAC Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-propoxyphenyl)propanamide Traditional Name: N-(2-propoxyphenyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1NC(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)C

Isomeric SMILES

CCCOC1=CC=CC=C1NC(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H24N4O2S/c1-3-14-27-18-7-5-4-6-17(18)22-19(26)12-13-25-20(23-24-21(25)28)16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,22,26)(H,24,28)