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

Systemtic Name: 5-(1H-benzimidazol-2-ylmethylsulfanyl)-3-phenethyl-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-(1H-benzimidazol-2-ylmethylsulfanyl)-3-phenethyl-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 5-(1H-benzimidazol-2-ylmethylthio)-3-phenethyl-6-phenyl-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 5-(1H-benzimidazol-2-ylmethylsulfanyl)-3-phenethyl-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-(1H-benzimidazol-2-ylmethylthio)-3-phenethyl-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C27H21N5OS3 MolecularWeight: 527.68354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C(=O)N(C(=N3)SCC4=NC5=CC=CC=C5N4)C6=CC=CC=C6)SC2=S

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C(=O)N(C(=N3)SCC4=NC5=CC=CC=C5N4)C6=CC=CC=C6)SC2=S

InChI

InChI=1S/C27H21N5OS3/c33-25-23-24(31(27(34)36-23)16-15-18-9-3-1-4-10-18)30-26(32(25)19-11-5-2-6-12-19)35-17-22-28-20-13-7-8-14-21(20)29-22/h1-14H,15-17H2,(H,28,29)