4-ethoxy-2-[(E)-2-oxidanyl-4-oxidanylidene-pent-2-enyl]sulfanyl-6-pyridin-3-yl-pyridine-3-carbonitrile

Systemtic Name: 4-ethoxy-2-[(E)-2-oxidanyl-4-oxidanylidene-pent-2-enyl]sulfanyl-6-pyridin-3-yl-pyridine-3-carbonitrile Openeye Name: 4-ethoxy-2-[(E)-2-hydroxy-4-oxo-pent-2-enyl]sulfanyl-6-(3-pyridyl)pyridine-3-carbonitrile CAS Name: 4-ethoxy-2-[[(E)-2-hydroxy-4-oxopent-2-enyl]thio]-6-(3-pyridinyl)-3-pyridinecarbonitrile IUPAC Name: 4-ethoxy-2-[(E)-2-hydroxy-4-oxopent-2-enyl]sulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile Traditional Name: 4-ethoxy-2-[[(E)-2-hydroxy-4-keto-pent-2-enyl]thio]-6-(3-pyridyl)nicotinonitrile Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=NC(=C1C#N)SCC(=CC(=O)C)O)C2=CN=CC=C2

Isomeric SMILES

CCOC1=CC(=NC(=C1C#N)SC/C(=C\C(=O)C)/O)C2=CN=CC=C2

InChI

InChI=1S/C18H17N3O3S/c1-3-24-17-8-16(13-5-4-6-20-10-13)21-18(15(17)9-19)25-11-14(23)7-12(2)22/h4-8,10,23H,3,11H2,1-2H3/b14-7+