3-[4-chloranyl-3-(trifluoromethyl)phenyl]-7-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[4-chloranyl-3-(trifluoromethyl)phenyl]-7-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2-thioxo-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-2-thioxo-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C18H14ClF3N2OS2 MolecularWeight: 430.89477

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)N(C(=S)N3)C4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

CC1CCC2=C(C1)SC3=C2C(=O)N(C(=S)N3)C4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C18H14ClF3N2OS2/c1-8-2-4-10-13(6-8)27-15-14(10)16(25)24(17(26)23-15)9-3-5-12(19)11(7-9)18(20,21)22/h3,5,7-8H,2,4,6H2,1H3,(H,23,26)