4,7-dimethoxy-2-(6-pyridin-2-ylcyclohexa-1,5-dien-1-yl)sulfinyl-1H-benzimidazole

Systemtic Name: 4,7-dimethoxy-2-(6-pyridin-2-ylcyclohexa-1,5-dien-1-yl)sulfinyl-1H-benzimidazole Openeye Name: 4,7-dimethoxy-2-[6-(2-pyridyl)cyclohexa-1,5-dien-1-yl]sulfinyl-1H-benzimidazole CAS Name: 4,7-dimethoxy-2-[[6-(2-pyridinyl)-1-cyclohexa-1,5-dienyl]sulfinyl]-1H-benzimidazole IUPAC Name: 4,7-dimethoxy-2-(6-pyridin-2-ylcyclohexa-1,5-dien-1-yl)sulfinyl-1H-benzimidazole Traditional Name: 4,7-dimethoxy-2-[6-(2-pyridyl)cyclohexa-1,5-dien-1-yl]sulfinyl-1H-benzimidazole Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)N=C(N2)S(=O)C3=CCCC=C3C4=CC=CC=N4

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)N=C(N2)S(=O)C3=CCCC=C3C4=CC=CC=N4

InChI

InChI=1S/C20H19N3O3S/c1-25-15-10-11-16(26-2)19-18(15)22-20(23-19)27(24)17-9-4-3-7-13(17)14-8-5-6-12-21-14/h5-12H,3-4H2,1-2H3,(H,22,23)