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

Systemtic Name: 2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[5-(o-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-propylacetamide IUPAC Name: 2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[5-(o-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-propyl-acetamide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3C

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3C

InChI

InChI=1S/C20H22N4OS/c1-3-13-21-18(25)14-26-20-23-22-19(17-12-8-7-9-15(17)2)24(20)16-10-5-4-6-11-16/h4-12H,3,13-14H2,1-2H3,(H,21,25)