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

Systemtic Name: 1-[2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-yl]-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one Openeye Name: 1-[2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanylpyrimidin-4-yl]-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one CAS Name: 1-[2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-pyrimidinyl]-3-(methylthio)-6,7-dihydro-5H-2-benzothiophen-4-one IUPAC Name: 1-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpyrimidin-4-yl]-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one Traditional Name: 1-[2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]pyrimidin-4-yl]-3-(methylthio)-6,7-dihydro-5H-isobenzothiophen-4-one Formula: C21H17ClN2O2S3 MolecularWeight: 461.01988

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2C(=C(S1)C3=NC(=NC=C3)SCC(=O)C4=CC=C(C=C4)Cl)CCCC2=O

Isomeric SMILES

CSC1=C2C(=C(S1)C3=NC(=NC=C3)SCC(=O)C4=CC=C(C=C4)Cl)CCCC2=O

InChI

InChI=1S/C21H17ClN2O2S3/c1-27-20-18-14(3-2-4-16(18)25)19(29-20)15-9-10-23-21(24-15)28-11-17(26)12-5-7-13(22)8-6-12/h5-10H,2-4,11H2,1H3