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

Systemtic Name: 6,6-dimethyl-3-methylsulfanyl-1-(2-methylsulfanylpyrimidin-4-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-3-methylsulfanyl-1-(2-methylsulfanylpyrimidin-4-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-3-(methylthio)-1-[2-(methylthio)-4-pyrimidinyl]-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-3-methylsulfanyl-1-(2-methylsulfanylpyrimidin-4-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 6,6-dimethyl-3-(methylthio)-1-[2-(methylthio)pyrimidin-4-yl]-5,7-dihydroisobenzothiophen-4-one Formula: C16H18N2OS3 MolecularWeight: 350.52192

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=NC(=NC=C3)SC)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SC)C3=NC(=NC=C3)SC)C

InChI

InChI=1S/C16H18N2OS3/c1-16(2)7-9-12(11(19)8-16)14(20-3)22-13(9)10-5-6-17-15(18-10)21-4/h5-6H,7-8H2,1-4H3