3-(4-ethoxyphenyl)-5-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 3-(4-ethoxyphenyl)-5-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-(4-ethoxyphenyl)-5-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 3-(4-ethoxyphenyl)-5-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-6-phenyl-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 3-(4-ethoxyphenyl)-5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-6-phenyl-3-p-phenetyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C27H20FN3O3S3 MolecularWeight: 549.659403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)F)C5=CC=CC=C5)SC2=S

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)F)C5=CC=CC=C5)SC2=S

InChI

InChI=1S/C27H20FN3O3S3/c1-2-34-21-14-12-20(13-15-21)30-24-23(37-27(30)35)25(33)31(19-6-4-3-5-7-19)26(29-24)36-16-22(32)17-8-10-18(28)11-9-17/h3-15H,2,16H2,1H3