3-(5-chloranyl-2-methoxy-phenyl)-5-phenacylsulfanyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 3-(5-chloranyl-2-methoxy-phenyl)-5-phenacylsulfanyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-(5-chloro-2-methoxy-phenyl)-5-phenacylsulfanyl-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 3-(5-chloro-2-methoxyphenyl)-5-(phenacylthio)-2-sulfanylidene-4H-thiazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-(5-chloro-2-methoxyphenyl)-5-phenacylsulfanyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(5-chloro-2-methoxy-phenyl)-5-(phenacylthio)-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-7-one Formula: C20H14ClN3O3S3 MolecularWeight: 475.99146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2C3=C(C(=O)N=C(N3)SCC(=O)C4=CC=CC=C4)SC2=S

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C3=C(C(=O)N=C(N3)SCC(=O)C4=CC=CC=C4)SC2=S

InChI

InChI=1S/C20H14ClN3O3S3/c1-27-15-8-7-12(21)9-13(15)24-17-16(30-20(24)28)18(26)23-19(22-17)29-10-14(25)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,22,23,26)