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

Systemtic Name: 3-(3,4-dimethylphenyl)-5-phenacylsulfanyl-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-(3,4-dimethylphenyl)-5-phenacylsulfanyl-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 3-(3,4-dimethylphenyl)-5-(phenacylthio)-6-phenyl-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 3-(3,4-dimethylphenyl)-5-phenacylsulfanyl-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(3,4-dimethylphenyl)-5-(phenacylthio)-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C27H21N3O2S3 MolecularWeight: 515.66954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21N3O2S3/c1-17-13-14-21(15-18(17)2)29-24-23(35-27(29)33)25(32)30(20-11-7-4-8-12-20)26(28-24)34-16-22(31)19-9-5-3-6-10-19/h3-15H,16H2,1-2H3