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

Systemtic Name: 1-[2-[(3-fluorophenyl)methylsulfanyl]pyrimidin-4-yl]-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one Openeye Name: 1-[2-[(3-fluorophenyl)methylsulfanyl]pyrimidin-4-yl]-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one CAS Name: 1-[2-[(3-fluorophenyl)methylthio]-4-pyrimidinyl]-3-(methylthio)-6,7-dihydro-5H-2-benzothiophen-4-one IUPAC Name: 1-[2-[(3-fluorophenyl)methylsulfanyl]pyrimidin-4-yl]-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one Traditional Name: 1-[2-[(3-fluorobenzyl)thio]pyrimidin-4-yl]-3-(methylthio)-6,7-dihydro-5H-isobenzothiophen-4-one Formula: C20H17FN2OS3 MolecularWeight: 416.555183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17FN2OS3/c1-25-19-17-14(6-3-7-16(17)24)18(27-19)15-8-9-22-20(23-15)26-11-12-4-2-5-13(21)10-12/h2,4-5,8-10H,3,6-7,11H2,1H3