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

Systemtic Name: 1-[1-(3,4-dichlorophenyl)sulfonylpyrazol-3-yl]-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 1-[1-(3,4-dichlorophenyl)sulfonylpyrazol-3-yl]-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one CAS Name: 1-[1-(3,4-dichlorophenyl)sulfonyl-3-pyrazolyl]-6,6-dimethyl-3-(methylthio)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 1-[1-(3,4-dichlorophenyl)sulfonylpyrazol-3-yl]-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 1-[1-(3,4-dichlorophenyl)sulfonylpyrazol-3-yl]-6,6-dimethyl-3-(methylthio)-5,7-dihydroisobenzothiophen-4-one Formula: C20H18Cl2N2O3S3 MolecularWeight: 501.46952

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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(=C(C=C4)Cl)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C20H18Cl2N2O3S3/c1-20(2)9-12-17(16(25)10-20)19(28-3)29-18(12)15-6-7-24(23-15)30(26,27)11-4-5-13(21)14(22)8-11/h4-8H,9-10H2,1-3H3