5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[4-(hydroxymethyl)phenyl]methoxy]thiophene-2-carbonitrile

Systemtic Name: 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[4-(hydroxymethyl)phenyl]methoxy]thiophene-2-carbonitrile Openeye Name: 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[4-(hydroxymethyl)phenyl]methoxy]thiophene-2-carbonitrile CAS Name: 5-(5,6-dimethoxy-1-benzimidazolyl)-3-[[4-(hydroxymethyl)phenyl]methoxy]-2-thiophenecarbonitrile IUPAC Name: 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[4-(hydroxymethyl)phenyl]methoxy]thiophene-2-carbonitrile Traditional Name: 5-(5,6-dimethoxybenzimidazol-1-yl)-3-(4-methylolbenzyl)oxy-thiophene-2-carbonitrile Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C#N)OCC4=CC=C(C=C4)CO)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C#N)OCC4=CC=C(C=C4)CO)OC

InChI

InChI=1S/C22H19N3O4S/c1-27-18-7-16-17(8-19(18)28-2)25(13-24-16)22-9-20(21(10-23)30-22)29-12-15-5-3-14(11-26)4-6-15/h3-9,13,26H,11-12H2,1-2H3