6,6-dimethyl-3-methylsulfanyl-1-[1-(phenylsulfonyl)pyrazol-3-yl]-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 6,6-dimethyl-3-methylsulfanyl-1-[1-(phenylsulfonyl)pyrazol-3-yl]-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 1-[1-(benzenesulfonyl)pyrazol-3-yl]-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one CAS Name: 1-[1-(benzenesulfonyl)-3-pyrazolyl]-6,6-dimethyl-3-(methylthio)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 1-[1-(benzenesulfonyl)pyrazol-3-yl]-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 1-(1-besylpyrazol-3-yl)-6,6-dimethyl-3-(methylthio)-5,7-dihydroisobenzothiophen-4-one Formula: C20H20N2O3S3 MolecularWeight: 432.5794

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=NN(C=C3)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=NN(C=C3)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C20H20N2O3S3/c1-20(2)11-14-17(16(23)12-20)19(26-3)27-18(14)15-9-10-22(21-15)28(24,25)13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3