2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-4-(4-methoxyphenyl)-6-thiophen-2-yl-pyridine-3-carbonitrile

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-4-(4-methoxyphenyl)-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-4-(4-methoxyphenyl)-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylthio)-4-(4-methoxyphenyl)-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylthio)-4-(4-methoxyphenyl)-6-(2-thienyl)nicotinonitrile Formula: C26H20N2O3S2 MolecularWeight: 472.5786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC4=C(C=C3)OCCO4)C5=CC=CS5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC4=C(C=C3)OCCO4)C5=CC=CS5

InChI

InChI=1S/C26H20N2O3S2/c1-29-19-7-5-18(6-8-19)20-14-22(25-3-2-12-32-25)28-26(21(20)15-27)33-16-17-4-9-23-24(13-17)31-11-10-30-23/h2-9,12-14H,10-11,16H2,1H3