6-chloranyl-3-(4-phenylbutan-2-yl)-1H-benzimidazol-3-ium-2-thiol

Systemtic Name: 6-chloranyl-3-(4-phenylbutan-2-yl)-1H-benzimidazol-3-ium-2-thiol Openeye Name: 6-chloro-3-(1-methyl-3-phenyl-propyl)-1H-benzimidazol-3-ium-2-thiol CAS Name: 6-chloro-3-(4-phenylbutan-2-yl)-1H-benzimidazol-3-ium-2-thiol IUPAC Name: 6-chloro-3-(4-phenylbutan-2-yl)-1H-benzimidazol-3-ium-2-thiol Traditional Name: 6-chloro-3-(1-methyl-3-phenyl-propyl)-1H-benzimidazol-3-ium-2-thiol Formula: C17H18ClN2S+ MolecularWeight: 317.85622

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[N+]2=C(NC3=C2C=CC(=C3)Cl)S

Isomeric SMILES

CC(CCC1=CC=CC=C1)[N+]2=C(NC3=C2C=CC(=C3)Cl)S

InChI

InChI=1S/C17H17ClN2S/c1-12(7-8-13-5-3-2-4-6-13)20-16-10-9-14(18)11-15(16)19-17(20)21/h2-6,9-12H,7-8H2,1H3,(H,19,21)/p+1