2-[(E)-1-ethoxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(E)-1-ethoxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-[(1E)-1-[ethoxy(hydroxy)methylene]-2-oxo-propyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-[[(E)-1-ethoxy-1-hydroxy-3-oxobut-1-en-2-yl]thio]-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-[(E)-1-ethoxy-1-hydroxy-3-oxobut-1-en-2-yl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-[[(E)-1-acetyl-2-ethoxy-2-hydroxy-vinyl]thio]-4,6-diphenyl-nicotinonitrile Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C)SC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N)O

Isomeric SMILES

CCO/C(=C(\C(=O)C)/SC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N)/O

InChI

InChI=1S/C24H20N2O3S/c1-3-29-24(28)22(16(2)27)30-23-20(15-25)19(17-10-6-4-7-11-17)14-21(26-23)18-12-8-5-9-13-18/h4-14,28H,3H2,1-2H3/b24-22+