1,3-bis(1H-benzimidazol-2-ylsulfanyl)propan-2-one dihydrochloride

Systemtic Name: 1,3-bis(1H-benzimidazol-2-ylsulfanyl)propan-2-one dihydrochloride Openeye Name: 1,3-bis(1H-benzimidazol-2-ylsulfanyl)propan-2-one dihydrochloride CAS Name: 1,3-bis(1H-benzimidazol-2-ylthio)-2-propanone dihydrochloride IUPAC Name: 1,3-bis(1H-benzimidazol-2-ylsulfanyl)propan-2-one dihydrochloride Traditional Name: 1,3-bis(1H-benzimidazol-2-ylthio)acetone dihydrochloride Formula: C17H16Cl2N4OS2 MolecularWeight: 427.37114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC(=O)CSC3=NC4=CC=CC=C4N3.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(=O)CSC3=NC4=CC=CC=C4N3.Cl.Cl

InChI

InChI=1S/C17H14N4OS2.2ClH/c22-11(9-23-16-18-12-5-1-2-6-13(12)19-16)10-24-17-20-14-7-3-4-8-15(14)21-17;;/h1-8H,9-10H2,(H,18,19)(H,20,21);2*1H