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

Systemtic Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylphenyl)ethanone Openeye Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylphenyl)ethanone CAS Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(4-methylsulfonylphenyl)ethanone IUPAC Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylphenyl)ethanone Traditional Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(4-mesylphenyl)ethanone Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H23N3O3S2/c1-13-19-20-18(21(13)15-6-4-3-5-7-15)25-12-17(22)14-8-10-16(11-9-14)26(2,23)24/h8-11,15H,3-7,12H2,1-2H3