6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-5-phenacylsulfanyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-5-phenacylsulfanyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-5-phenacylsulfanyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-5-(phenacylthio)-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-5-phenacylsulfanyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(4-ethylphenyl)-5-(phenacylthio)-6-p-phenetyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C29H25N3O3S3 MolecularWeight: 559.7221

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)OCC)SC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)OCC)SC2=S

InChI

InChI=1S/C29H25N3O3S3/c1-3-19-10-12-21(13-11-19)31-26-25(38-29(31)36)27(34)32(22-14-16-23(17-15-22)35-4-2)28(30-26)37-18-24(33)20-8-6-5-7-9-20/h5-17H,3-4,18H2,1-2H3