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

Systemtic Name: 5-(1H-benzimidazol-2-ylmethylsulfanyl)-6-butyl-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-(1H-benzimidazol-2-ylmethylsulfanyl)-6-butyl-3-phenethyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 5-(1H-benzimidazol-2-ylmethylthio)-6-butyl-3-phenethyl-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 5-(1H-benzimidazol-2-ylmethylsulfanyl)-6-butyl-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-(1H-benzimidazol-2-ylmethylthio)-6-butyl-3-phenethyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C25H25N5OS3 MolecularWeight: 507.6939

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SCC3=NC4=CC=CC=C4N3)N(C(=S)S2)CCC5=CC=CC=C5

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SCC3=NC4=CC=CC=C4N3)N(C(=S)S2)CCC5=CC=CC=C5

InChI

InChI=1S/C25H25N5OS3/c1-2-3-14-30-23(31)21-22(29(25(32)34-21)15-13-17-9-5-4-6-10-17)28-24(30)33-16-20-26-18-11-7-8-12-19(18)27-20/h4-12H,2-3,13-16H2,1H3,(H,26,27)