4-(5-butylthiophen-2-yl)-6-(3,4-dimethoxyphenyl)-2-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 4-(5-butylthiophen-2-yl)-6-(3,4-dimethoxyphenyl)-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 4-(5-butyl-2-thienyl)-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 4-(5-butyl-2-thiophenyl)-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 4-(5-butylthiophen-2-yl)-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 4-(5-butyl-2-thienyl)-6-(3,4-dimethoxyphenyl)-2-keto-1H-pyridine-3-carbonitrile Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(S1)C2=C(C(=O)NC(=C2)C3=CC(=C(C=C3)OC)OC)C#N

Isomeric SMILES

CCCCC1=CC=C(S1)C2=C(C(=O)NC(=C2)C3=CC(=C(C=C3)OC)OC)C#N

InChI

InChI=1S/C22H22N2O3S/c1-4-5-6-15-8-10-21(28-15)16-12-18(24-22(25)17(16)13-23)14-7-9-19(26-2)20(11-14)27-3/h7-12H,4-6H2,1-3H3,(H,24,25)