4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-2,9-dimethoxy-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile Formula: C22H16N2O4S MolecularWeight: 404.43844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SCC3=C2N=C(C(=C3C4=CC5=C(C=C4)OCO5)C#N)OC

Isomeric SMILES

COC1=CC2=C(C=C1)SCC3=C2N=C(C(=C3C4=CC5=C(C=C4)OCO5)C#N)OC

InChI

InChI=1S/C22H16N2O4S/c1-25-13-4-6-19-14(8-13)21-16(10-29-19)20(15(9-23)22(24-21)26-2)12-3-5-17-18(7-12)28-11-27-17/h3-8H,10-11H2,1-2H3