2-[(4-tert-butylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium CAS Name: 2-[(4-tert-butylphenyl)methylthio]-1H-benzimidazol-3-ium IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium Traditional Name: 2-[(4-tert-butylbenzyl)thio]-1H-benzimidazol-3-ium Formula: C18H21N2S+ MolecularWeight: 297.43774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C18H20N2S/c1-18(2,3)14-10-8-13(9-11-14)12-21-17-19-15-6-4-5-7-16(15)20-17/h4-11H,12H2,1-3H3,(H,19,20)/p+1