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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(o-tolyl)acetamide CAS Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(o-tolyl)acetamide Formula: C18H18N4O2S MolecularWeight: 354.42612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H18N4O2S/c1-12-5-3-4-6-15(12)19-16(23)11-25-18-20-17(21-22-18)13-7-9-14(24-2)10-8-13/h3-10H,11H2,1-2H3,(H,19,23)(H,20,21,22)