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

Systemtic Name: 3-(4-ethoxyphenyl)-5-phenacylsulfanyl-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-(4-ethoxyphenyl)-5-phenacylsulfanyl-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 3-(4-ethoxyphenyl)-5-(phenacylthio)-6-phenyl-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 3-(4-ethoxyphenyl)-5-phenacylsulfanyl-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-(phenacylthio)-6-phenyl-3-p-phenetyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C27H21N3O3S3 MolecularWeight: 531.66894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5=CC=CC=C5)SC2=S

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5=CC=CC=C5)SC2=S

InChI

InChI=1S/C27H21N3O3S3/c1-2-33-21-15-13-20(14-16-21)29-24-23(36-27(29)34)25(32)30(19-11-7-4-8-12-19)26(28-24)35-17-22(31)18-9-5-3-6-10-18/h3-16H,2,17H2,1H3