2-azanyl-4-(4-ethoxyphenyl)-6-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(4-ethoxyphenyl)-6-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-ethoxyphenyl)-6-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-ethoxyphenyl)-6-[[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]thio]pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-ethoxyphenyl)-6-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-keto-2-(2,4,5-trimethylphenyl)ethyl]thio]-4-p-phenetyl-dinicotinonitrile Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)C3=CC(=C(C=C3C)C)C)N)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)C3=CC(=C(C=C3C)C)C)N)C#N

InChI

InChI=1S/C26H24N4O2S/c1-5-32-19-8-6-18(7-9-19)24-21(12-27)25(29)30-26(22(24)13-28)33-14-23(31)20-11-16(3)15(2)10-17(20)4/h6-11H,5,14H2,1-4H3,(H2,29,30)