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

Systemtic Name: 6-(2-methoxyphenyl)-5-phenacylsulfanyl-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 6-(2-methoxyphenyl)-5-phenacylsulfanyl-3-phenethyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 6-(2-methoxyphenyl)-5-(phenacylthio)-3-phenethyl-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 6-(2-methoxyphenyl)-5-phenacylsulfanyl-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 6-(2-methoxyphenyl)-5-(phenacylthio)-3-phenethyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C28H23N3O3S3 MolecularWeight: 545.69552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)C4=CC=CC=C4)N(C(=S)S3)CCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)C4=CC=CC=C4)N(C(=S)S3)CCC5=CC=CC=C5

InChI

InChI=1S/C28H23N3O3S3/c1-34-23-15-9-8-14-21(23)31-26(33)24-25(29-27(31)36-18-22(32)20-12-6-3-7-13-20)30(28(35)37-24)17-16-19-10-4-2-5-11-19/h2-15H,16-18H2,1H3