6,6-dimethyl-3-methylsulfanyl-1-(1-methylsulfonylpyrazol-3-yl)-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 6,6-dimethyl-3-methylsulfanyl-1-(1-methylsulfonylpyrazol-3-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-3-methylsulfanyl-1-(1-methylsulfonylpyrazol-3-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-1-(1-methylsulfonyl-3-pyrazolyl)-3-(methylthio)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-3-methylsulfanyl-1-(1-methylsulfonylpyrazol-3-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 1-(1-mesylpyrazol-3-yl)-6,6-dimethyl-3-(methylthio)-5,7-dihydroisobenzothiophen-4-one Formula: C15H18N2O3S3 MolecularWeight: 370.51002

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3S3/c1-15(2)7-9-12(11(18)8-15)14(21-3)22-13(9)10-5-6-17(16-10)23(4,19)20/h5-6H,7-8H2,1-4H3