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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H19N3O3S2/c1-13-4-6-15(7-5-13)18-20-21-19(22(18)2)26-12-17(23)14-8-10-16(11-9-14)27(3,24)25/h4-11H,12H2,1-3H3