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

Systemtic Name: 1-(4-methylphenyl)-2-[[4-methyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[5-(benzenesulfonylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(p-tolyl)ethanone CAS Name: 2-[[5-(benzenesulfonylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[[5-(benzenesulfonylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone Traditional Name: 2-[[5-(besylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(p-tolyl)ethanone Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O3S2/c1-14-8-10-15(11-9-14)17(23)12-26-19-21-20-18(22(19)2)13-27(24,25)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3