[(4S)-5-cyano-4-(4-hydroxyphenyl)-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]methanediolate

Systemtic Name: [(4S)-5-cyano-4-(4-hydroxyphenyl)-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]methanediolate Openeye Name: [(4S)-5-cyano-4-(4-hydroxyphenyl)-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]methanediolate CAS Name: [(4S)-5-cyano-4-(4-hydroxyphenyl)-6-mercapto-2-methyl-4H-pyridin-3-ylidene]methanediolate IUPAC Name: [(4S)-5-cyano-4-(4-hydroxyphenyl)-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]methanediolate Traditional Name: [(4S)-5-cyano-4-(4-hydroxyphenyl)-6-mercapto-2-methyl-4H-pyridin-3-ylidene]methanediolate Formula: C14H10N2O3S-2 MolecularWeight: 286.3058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NC(=C([C@H](C1=C([O-])[O-])C2=CC=C(C=C2)O)C#N)S

InChI

InChI=1S/C14H12N2O3S/c1-7-11(14(18)19)12(10(6-15)13(20)16-7)8-2-4-9(17)5-3-8/h2-5,12,17-20H,1H3/p-2/t12-/m1/s1