5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[(2-chloro-6-fluorophenyl)methylthio]-3-(4-ethoxyphenyl)-2-sulfanylidene-4H-thiazolo[4,5-d]pyrimidin-7-one IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-[(2-chloro-6-fluoro-benzyl)thio]-3-p-phenetyl-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-7-one Formula: C20H15ClFN3O2S3 MolecularWeight: 479.998403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=C(C(=O)N=C(N3)SCC4=C(C=CC=C4Cl)F)SC2=S

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=C(C(=O)N=C(N3)SCC4=C(C=CC=C4Cl)F)SC2=S

InChI

InChI=1S/C20H15ClFN3O2S3/c1-2-27-12-8-6-11(7-9-12)25-17-16(30-20(25)28)18(26)24-19(23-17)29-10-13-14(21)4-3-5-15(13)22/h3-9H,2,10H2,1H3,(H,23,24,26)