5-(1H-benzimidazol-2-ylmethylsulfanyl)-3,6-diphenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-(1H-benzimidazol-2-ylmethylsulfanyl)-3,6-diphenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-(1H-benzimidazol-2-ylmethylsulfanyl)-3,6-diphenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 5-(1H-benzimidazol-2-ylmethylthio)-3,6-diphenyl-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 5-(1H-benzimidazol-2-ylmethylsulfanyl)-3,6-diphenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-(1H-benzimidazol-2-ylmethylthio)-3,6-diphenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C25H17N5OS3 MolecularWeight: 499.63038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC4=NC5=CC=CC=C5N4)C6=CC=CC=C6)SC2=S

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC4=NC5=CC=CC=C5N4)C6=CC=CC=C6)SC2=S

InChI

InChI=1S/C25H17N5OS3/c31-23-21-22(29(25(32)34-21)16-9-3-1-4-10-16)28-24(30(23)17-11-5-2-6-12-17)33-15-20-26-18-13-7-8-14-19(18)27-20/h1-14H,15H2,(H,26,27)