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

Systemtic Name: 3-(2-ethoxyphenyl)-5-phenacylsulfanyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-(2-ethoxyphenyl)-5-phenacylsulfanyl-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 3-(2-ethoxyphenyl)-5-(phenacylthio)-2-sulfanylidene-4H-thiazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-(2-ethoxyphenyl)-5-phenacylsulfanyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-o-phenetyl-5-(phenacylthio)-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-7-one Formula: C21H17N3O3S3 MolecularWeight: 455.57298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C3=C(C(=O)N=C(N3)SCC(=O)C4=CC=CC=C4)SC2=S

Isomeric SMILES

CCOC1=CC=CC=C1N2C3=C(C(=O)N=C(N3)SCC(=O)C4=CC=CC=C4)SC2=S

InChI

InChI=1S/C21H17N3O3S3/c1-2-27-16-11-7-6-10-14(16)24-18-17(30-21(24)28)19(26)23-20(22-18)29-12-15(25)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,22,23,26)