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

Systemtic Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylphenyl)ethanone Openeye Name: 1-(4-methylsulfonylphenyl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylsulfonylphenyl)ethanone IUPAC Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylphenyl)ethanone Traditional Name: 1-(4-mesylphenyl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S2/c1-13-5-3-4-6-16(13)21-12-19-20-18(21)25-11-17(22)14-7-9-15(10-8-14)26(2,23)24/h3-10,12H,11H2,1-2H3