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

Systemtic Name: 6-(4-bromophenyl)-5-phenacylsulfanyl-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 6-(4-bromophenyl)-5-phenacylsulfanyl-3-phenethyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 6-(4-bromophenyl)-5-(phenacylthio)-3-phenethyl-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 6-(4-bromophenyl)-5-phenacylsulfanyl-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 6-(4-bromophenyl)-5-(phenacylthio)-3-phenethyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C27H20BrN3O2S3 MolecularWeight: 594.5656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br)SC2=S

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br)SC2=S

InChI

InChI=1S/C27H20BrN3O2S3/c28-20-11-13-21(14-12-20)31-25(33)23-24(29-26(31)35-17-22(32)19-9-5-2-6-10-19)30(27(34)36-23)16-15-18-7-3-1-4-8-18/h1-14H,15-17H2