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

Systemtic Name: sodium (1Z)-1-[5-cyano-2-methyl-4-(3-nitrophenyl)-6-sulfanyl-4H-pyridin-3-ylidene]ethanolate Openeye Name: sodium (1Z)-1-[5-cyano-2-methyl-4-(3-nitrophenyl)-6-sulfanyl-4H-pyridin-3-ylidene]ethanolate CAS Name: sodium (1Z)-1-[5-cyano-6-mercapto-2-methyl-4-(3-nitrophenyl)-4H-pyridin-3-ylidene]ethanolate IUPAC Name: sodium (1Z)-1-[5-cyano-2-methyl-4-(3-nitrophenyl)-6-sulfanyl-4H-pyridin-3-ylidene]ethanolate Traditional Name: sodium (1Z)-1-[5-cyano-6-mercapto-2-methyl-4-(3-nitrophenyl)-4H-pyridin-3-ylidene]ethanolate Formula: C15H12N3NaO3S MolecularWeight: 337.32885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O3S.Na/c1-8-13(9(2)19)14(12(7-16)15(22)17-8)10-4-3-5-11(6-10)18(20)21;/h3-6,14,19,22H,1-2H3;/q;+1/p-1/b13-9+;