1-[(4S)-4-(4-butoxyphenyl)-5-cyano-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]ethanolate

Systemtic Name: 1-[(4S)-4-(4-butoxyphenyl)-5-cyano-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]ethanolate Openeye Name: 1-[(4S)-4-(4-butoxyphenyl)-5-cyano-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]ethanolate CAS Name: 1-[(4S)-4-(4-butoxyphenyl)-5-cyano-6-mercapto-2-methyl-4H-pyridin-3-ylidene]ethanolate IUPAC Name: 1-[(4S)-4-(4-butoxyphenyl)-5-cyano-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]ethanolate Traditional Name: 1-[(4S)-4-(4-butoxyphenyl)-5-cyano-6-mercapto-2-methyl-4H-pyridin-3-ylidene]ethanolate Formula: C19H21N2O2S- MolecularWeight: 341.44724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(=C(N=C(C2=C(C)[O-])C)S)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@@H]2C(=C(N=C(C2=C(C)[O-])C)S)C#N

InChI

InChI=1S/C19H22N2O2S/c1-4-5-10-23-15-8-6-14(7-9-15)18-16(11-20)19(24)21-12(2)17(18)13(3)22/h6-9,18,22,24H,4-5,10H2,1-3H3/p-1/t18-/m1/s1