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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[(3,4-dimethoxyphenyl)methylsulfanyl]-1H-benzimidazole CAS Name: 2-[(3,4-dimethoxyphenyl)methylthio]-1H-benzimidazole IUPAC Name: 2-[(3,4-dimethoxyphenyl)methylsulfanyl]-1H-benzimidazole Traditional Name: 2-(veratrylthio)-1H-benzimidazole Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC3=CC=CC=C3N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC3=CC=CC=C3N2)OC

InChI

InChI=1S/C16H16N2O2S/c1-19-14-8-7-11(9-15(14)20-2)10-21-16-17-12-5-3-4-6-13(12)18-16/h3-9H,10H2,1-2H3,(H,17,18)