2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-(2,4-dimethoxyphenyl)ethanone

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-(2,4-dimethoxyphenyl)ethanone Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-(2,4-dimethoxyphenyl)ethanone CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-1-(2,4-dimethoxyphenyl)ethanone IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-(2,4-dimethoxyphenyl)ethanone Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-1-(2,4-dimethoxyphenyl)ethanone Formula: C17H17N2O3S+ MolecularWeight: 329.39348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)CSC2=[NH+]C3=CC=CC=C3N2)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)CSC2=[NH+]C3=CC=CC=C3N2)OC

InChI

InChI=1S/C17H16N2O3S/c1-21-11-7-8-12(16(9-11)22-2)15(20)10-23-17-18-13-5-3-4-6-14(13)19-17/h3-9H,10H2,1-2H3,(H,18,19)/p+1