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

Systemtic Name: 5-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-3-(4-ethylphenyl)-6-p-phenetyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C29H24ClN3O3S3 MolecularWeight: 594.16716

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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=C(C=C4)Cl)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=C(C=C4)Cl)C5=CC=C(C=C5)OCC)SC2=S

InChI

InChI=1S/C29H24ClN3O3S3/c1-3-18-5-11-21(12-6-18)32-26-25(39-29(32)37)27(35)33(22-13-15-23(16-14-22)36-4-2)28(31-26)38-17-24(34)19-7-9-20(30)10-8-19/h5-16H,3-4,17H2,1-2H3