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

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide CAS Name: 2-[[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-methylpropanamide IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide Traditional Name: N-methyl-2-[[5-(m-tolyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC)C3=CC(=CC=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H24N4O2S/c1-5-27-18-11-9-17(10-12-18)25-19(16-8-6-7-14(2)13-16)23-24-21(25)28-15(3)20(26)22-4/h6-13,15H,5H2,1-4H3,(H,22,26)