sodium (1Z)-1-(5-cyano-2-methyl-4-phenyl-6-sulfanyl-4H-pyridin-3-ylidene)ethanolate

Systemtic Name: sodium (1Z)-1-(5-cyano-2-methyl-4-phenyl-6-sulfanyl-4H-pyridin-3-ylidene)ethanolate Openeye Name: sodium (1Z)-1-(5-cyano-2-methyl-4-phenyl-6-sulfanyl-4H-pyridin-3-ylidene)ethanolate CAS Name: sodium (1Z)-1-(5-cyano-6-mercapto-2-methyl-4-phenyl-4H-pyridin-3-ylidene)ethanolate IUPAC Name: sodium (1Z)-1-(5-cyano-2-methyl-4-phenyl-6-sulfanyl-4H-pyridin-3-ylidene)ethanolate Traditional Name: sodium (1Z)-1-(5-cyano-6-mercapto-2-methyl-4-phenyl-4H-pyridin-3-ylidene)ethanolate Formula: C15H13N2NaOS MolecularWeight: 292.33129

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1=C(C)[O-])C2=CC=CC=C2)C#N)S.[Na+]

Isomeric SMILES

CC\1=NC(=C(C(/C1=C(\C)/[O-])C2=CC=CC=C2)C#N)S.[Na+]

InChI

InChI=1S/C15H14N2OS.Na/c1-9-13(10(2)18)14(11-6-4-3-5-7-11)12(8-16)15(19)17-9;/h3-7,14,18-19H,1-2H3;/q;+1/p-1/b13-10+;