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

Systemtic Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one Openeye Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one CAS Name: 1-[2-[(4-chlorophenyl)methylthio]-4-pyrimidinyl]-3-(methylthio)-6,7-dihydro-5H-2-benzothiophen-4-one IUPAC Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one Traditional Name: 1-[2-[(4-chlorobenzyl)thio]pyrimidin-4-yl]-3-(methylthio)-6,7-dihydro-5H-isobenzothiophen-4-one Formula: C20H17ClN2OS3 MolecularWeight: 433.00978

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2C(=C(S1)C3=NC(=NC=C3)SCC4=CC=C(C=C4)Cl)CCCC2=O

Isomeric SMILES

CSC1=C2C(=C(S1)C3=NC(=NC=C3)SCC4=CC=C(C=C4)Cl)CCCC2=O

InChI

InChI=1S/C20H17ClN2OS3/c1-25-19-17-14(3-2-4-16(17)24)18(27-19)15-9-10-22-20(23-15)26-11-12-5-7-13(21)8-6-12/h5-10H,2-4,11H2,1H3