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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-4-(4-methoxyphenyl)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-4-(4-methoxyphenyl)-6-phenyl-nicotinonitrile Formula: C28H22N2O3S MolecularWeight: 466.55088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3COC4=CC=CC=C4O3)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3COC4=CC=CC=C4O3)C5=CC=CC=C5

InChI

InChI=1S/C28H22N2O3S/c1-31-21-13-11-19(12-14-21)23-15-25(20-7-3-2-4-8-20)30-28(24(23)16-29)34-18-22-17-32-26-9-5-6-10-27(26)33-22/h2-15,22H,17-18H2,1H3