(1E)-1-[4-(2-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]ethanolate; piperidin-1-ium

Systemtic Name: (1E)-1-[4-(2-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]ethanolate; piperidin-1-ium Openeye Name: (1E)-1-[4-(2-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]ethanolate; piperidin-1-ium CAS Name: (1E)-1-[4-(2-chlorophenyl)-5-cyano-6-mercapto-2-methyl-4H-pyridin-3-ylidene]ethanolate; piperidin-1-ium IUPAC Name: (1E)-1-[4-(2-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]ethanolate; piperidin-1-ium Traditional Name: (1E)-1-[4-(2-chlorophenyl)-5-cyano-6-mercapto-2-methyl-4H-pyridin-3-ylidene]ethanolate; piperidin-1-ium Formula: C20H24ClN3OS MolecularWeight: 389.94206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1=C(C)[O-])C2=CC=CC=C2Cl)C#N)S.C1CC[NH2+]CC1

Isomeric SMILES

CC\1=NC(=C(C(/C1=C(/C)\[O-])C2=CC=CC=C2Cl)C#N)S.C1CC[NH2+]CC1

InChI

InChI=1S/C15H13ClN2OS.C5H11N/c1-8-13(9(2)19)14(11(7-17)15(20)18-8)10-5-3-4-6-12(10)16;1-2-4-6-5-3-1/h3-6,14,19-20H,1-2H3;6H,1-5H2/b13-9-;