2-[(3,4-dimethoxyphenyl)methylsulfanylmethyl]-1H-benzimidazole

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methylsulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[(3,4-dimethoxyphenyl)methylsulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[(3,4-dimethoxyphenyl)methylthio]methyl]-1H-benzimidazole IUPAC Name: 2-[(3,4-dimethoxyphenyl)methylsulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[(veratrylthio)methyl]-1H-benzimidazole Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC2=NC3=CC=CC=C3N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC2=NC3=CC=CC=C3N2)OC

InChI

InChI=1S/C17H18N2O2S/c1-20-15-8-7-12(9-16(15)21-2)10-22-11-17-18-13-5-3-4-6-14(13)19-17/h3-9H,10-11H2,1-2H3,(H,18,19)