2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C17H15N3OS MolecularWeight: 309.3855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H15N3OS/c1-13-7-5-6-10-15(13)20-12-18-19-17(20)22-11-16(21)14-8-3-2-4-9-14/h2-10,12H,11H2,1H3