4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-6-thiophen-2-yl-1H-pyridine-3-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-6-thiophen-2-yl-1H-pyridine-3-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-oxo-6-(2-thienyl)-1H-pyridine-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-keto-6-(2-thienyl)-1H-pyridine-3-carbonitrile Formula: C17H10N2O3S MolecularWeight: 322.3379

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)NC(=C3)C4=CC=CS4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)NC(=C3)C4=CC=CS4)C#N

InChI

InChI=1S/C17H10N2O3S/c18-8-12-11(10-3-4-14-15(6-10)22-9-21-14)7-13(19-17(12)20)16-2-1-5-23-16/h1-7H,9H2,(H,19,20)