1-[2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanylpyrimidin-4-yl]-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 1-[2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanylpyrimidin-4-yl]-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 1-[2-(3,3-dimethyl-2-oxo-butyl)sulfanylpyrimidin-4-yl]-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one CAS Name: 1-[2-[(3,3-dimethyl-2-oxobutyl)thio]-4-pyrimidinyl]-6,6-dimethyl-3-(methylthio)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 1-[2-(3,3-dimethyl-2-oxobutyl)sulfanylpyrimidin-4-yl]-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 1-[2-[(2-keto-3,3-dimethyl-butyl)thio]pyrimidin-4-yl]-6,6-dimethyl-3-(methylthio)-5,7-dihydroisobenzothiophen-4-one Formula: C21H26N2O2S3 MolecularWeight: 434.63834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2S3/c1-20(2,3)15(25)11-27-19-22-8-7-13(23-19)17-12-9-21(4,5)10-14(24)16(12)18(26-6)28-17/h7-8H,9-11H2,1-6H3