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

Systemtic Name: 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 1-phenyl-2-[[4-phenyl-5-(p-tolylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[5-[[(4-methylphenyl)thio]methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 1-phenyl-2-[[4-phenyl-5-[(p-tolylthio)methyl]-1,2,4-triazol-3-yl]thio]ethanone Formula: C24H21N3OS2 MolecularWeight: 431.57304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H21N3OS2/c1-18-12-14-21(15-13-18)29-17-23-25-26-24(27(23)20-10-6-3-7-11-20)30-16-22(28)19-8-4-2-5-9-19/h2-15H,16-17H2,1H3