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

Systemtic Name: 6-cyclohexyl-3-(2-methoxyphenyl)-5-phenacylsulfanyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 6-cyclohexyl-3-(2-methoxyphenyl)-5-phenacylsulfanyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 6-cyclohexyl-3-(2-methoxyphenyl)-5-(phenacylthio)-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 6-cyclohexyl-3-(2-methoxyphenyl)-5-phenacylsulfanyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 6-cyclohexyl-3-(2-methoxyphenyl)-5-(phenacylthio)-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C26H25N3O3S3 MolecularWeight: 523.69

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5CCCCC5)SC2=S

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5CCCCC5)SC2=S

InChI

InChI=1S/C26H25N3O3S3/c1-32-21-15-9-8-14-19(21)29-23-22(35-26(29)33)24(31)28(18-12-6-3-7-13-18)25(27-23)34-16-20(30)17-10-4-2-5-11-17/h2,4-5,8-11,14-15,18H,3,6-7,12-13,16H2,1H3