5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxan-2-ylmethoxy)thiophene-2-carbonitrile

Systemtic Name: 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxan-2-ylmethoxy)thiophene-2-carbonitrile Openeye Name: 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(tetrahydropyran-2-ylmethoxy)thiophene-2-carbonitrile CAS Name: 5-(5,6-dimethoxy-1-benzimidazolyl)-3-(2-oxanylmethoxy)-2-thiophenecarbonitrile IUPAC Name: 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(oxan-2-ylmethoxy)thiophene-2-carbonitrile Traditional Name: 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(tetrahydropyran-2-ylmethoxy)thiophene-2-carbonitrile Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C#N)OCC4CCCCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C#N)OCC4CCCCO4)OC

InChI

InChI=1S/C20H21N3O4S/c1-24-16-7-14-15(8-17(16)25-2)23(12-22-14)20-9-18(19(10-21)28-20)27-11-13-5-3-4-6-26-13/h7-9,12-13H,3-6,11H2,1-2H3