1-(1-benzofuran-2-yl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(1-benzofuran-2-yl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(benzofuran-2-yl)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2-benzofuranyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-benzofuran-2-yl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(benzofuran-2-yl)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C19H15N3O2S MolecularWeight: 349.4063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C19H15N3O2S/c1-12-6-8-13(9-7-12)18-20-19(22-21-18)25-11-15(23)17-10-14-4-2-3-5-16(14)24-17/h2-10H,11H2,1H3,(H,20,21,22)