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

Systemtic Name: 3-(2-methylphenyl)-5-phenacylsulfanyl-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-(o-tolyl)-5-phenacylsulfanyl-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 3-(2-methylphenyl)-5-(phenacylthio)-6-phenyl-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 3-(2-methylphenyl)-5-phenacylsulfanyl-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(o-tolyl)-5-(phenacylthio)-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C26H19N3O2S3 MolecularWeight: 501.64296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5=CC=CC=C5)SC2=S

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5=CC=CC=C5)SC2=S

InChI

InChI=1S/C26H19N3O2S3/c1-17-10-8-9-15-20(17)29-23-22(34-26(29)32)24(31)28(19-13-6-3-7-14-19)25(27-23)33-16-21(30)18-11-4-2-5-12-18/h2-15H,16H2,1H3