2-[(4-isothiocyanatophenyl)methylsulfanyl]-1H-benzimidazole hydrobromide

Systemtic Name: 2-[(4-isothiocyanatophenyl)methylsulfanyl]-1H-benzimidazole hydrobromide Openeye Name: 2-[(4-isothiocyanatophenyl)methylsulfanyl]-1H-benzimidazole hydrobromide CAS Name: 2-[(4-isothiocyanatophenyl)methylthio]-1H-benzimidazole hydrobromide IUPAC Name: 2-[(4-isothiocyanatophenyl)methylsulfanyl]-1H-benzimidazole hydrobromide Traditional Name: 2-[(4-isothiocyanatobenzyl)thio]-1H-benzimidazole hydrobromide Formula: C15H12BrN3S2 MolecularWeight: 378.30988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)N=C=S.Br

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)N=C=S.Br

InChI

InChI=1S/C15H11N3S2.BrH/c19-10-16-12-7-5-11(6-8-12)9-20-15-17-13-3-1-2-4-14(13)18-15;/h1-8H,9H2,(H,17,18);1H