5-[(4-chlorophenyl)methylsulfanyl]-3-(3,4-dimethylphenyl)-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-[(4-chlorophenyl)methylsulfanyl]-3-(3,4-dimethylphenyl)-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-[(4-chlorophenyl)methylsulfanyl]-3-(3,4-dimethylphenyl)-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[(4-chlorophenyl)methylthio]-3-(3,4-dimethylphenyl)-6-phenyl-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 5-[(4-chlorophenyl)methylsulfanyl]-3-(3,4-dimethylphenyl)-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-[(4-chlorobenzyl)thio]-3-(3,4-dimethylphenyl)-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C26H20ClN3OS3 MolecularWeight: 522.1045

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC4=CC=C(C=C4)Cl)C5=CC=CC=C5)SC2=S)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC4=CC=C(C=C4)Cl)C5=CC=CC=C5)SC2=S)C

InChI

InChI=1S/C26H20ClN3OS3/c1-16-8-13-21(14-17(16)2)29-23-22(34-26(29)32)24(31)30(20-6-4-3-5-7-20)25(28-23)33-15-18-9-11-19(27)12-10-18/h3-14H,15H2,1-2H3