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

Systemtic Name: 3-(2,6-dimethylphenyl)-5-phenacylsulfanyl-6-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-(2,6-dimethylphenyl)-5-phenacylsulfanyl-6-phenethyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 3-(2,6-dimethylphenyl)-5-(phenacylthio)-6-phenethyl-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 3-(2,6-dimethylphenyl)-5-phenacylsulfanyl-6-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(2,6-dimethylphenyl)-5-(phenacylthio)-6-phenethyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C29H25N3O2S3 MolecularWeight: 543.7227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C3=C(C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)CCC5=CC=CC=C5)SC2=S

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C3=C(C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)CCC5=CC=CC=C5)SC2=S

InChI

InChI=1S/C29H25N3O2S3/c1-19-10-9-11-20(2)24(19)32-26-25(37-29(32)35)27(34)31(17-16-21-12-5-3-6-13-21)28(30-26)36-18-23(33)22-14-7-4-8-15-22/h3-15H,16-18H2,1-2H3