2-(1H-benzimidazol-2-yl)-1-methylsulfanyl-2-pyridin-1-ium-1-yl-ethenethiolate

Systemtic Name: 2-(1H-benzimidazol-2-yl)-1-methylsulfanyl-2-pyridin-1-ium-1-yl-ethenethiolate Openeye Name: 2-(1H-benzimidazol-2-yl)-1-methylsulfanyl-2-pyridin-1-ium-1-yl-ethenethiolate CAS Name: 2-(1H-benzimidazol-2-yl)-1-(methylthio)-2-(1-pyridin-1-iumyl)ethenethiolate IUPAC Name: 2-(1H-benzimidazol-2-yl)-1-methylsulfanyl-2-pyridin-1-ium-1-ylethenethiolate Traditional Name: 2-(1H-benzimidazol-2-yl)-1-(methylthio)-2-pyridin-1-ium-1-yl-ethenethiolate Formula: C15H13N3S2 MolecularWeight: 299.41382

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C1=NC2=CC=CC=C2N1)[N+]3=CC=CC=C3)[S-]

Isomeric SMILES

CSC(=C(C1=NC2=CC=CC=C2N1)[N+]3=CC=CC=C3)[S-]

InChI

InChI=1S/C15H13N3S2/c1-20-15(19)13(18-9-5-2-6-10-18)14-16-11-7-3-4-8-12(11)17-14/h2-10H,1H3,(H-,16,17,19)