4-(1,3-benzodioxol-5-yl)-6-(4-methylphenyl)-2-(4-methylphenyl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-6-(4-methylphenyl)-2-(4-methylphenyl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-6-(p-tolyl)-2-(p-tolylsulfanyl)pyridine-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-6-(4-methylphenyl)-2-[(4-methylphenyl)thio]-3-pyridinecarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-6-(4-methylphenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-(p-tolyl)-2-(p-tolylthio)nicotinonitrile Formula: C27H20N2O2S MolecularWeight: 436.5249

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC4=C(C=C3)OCO4)C#N)SC5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC4=C(C=C3)OCO4)C#N)SC5=CC=C(C=C5)C

InChI

InChI=1S/C27H20N2O2S/c1-17-3-7-19(8-4-17)24-14-22(20-9-12-25-26(13-20)31-16-30-25)23(15-28)27(29-24)32-21-10-5-18(2)6-11-21/h3-14H,16H2,1-2H3