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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 1-phenyl-2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 1-phenyl-2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C23H19N3OS MolecularWeight: 385.48146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H19N3OS/c1-17-12-14-20(15-13-17)26-22(19-10-6-3-7-11-19)24-25-23(26)28-16-21(27)18-8-4-2-5-9-18/h2-15H,16H2,1H3