1-(4-chlorophenyl)-3-cyano-2-methyl-5-pyridin-1-ium-1-yl-6-sulfanylidene-pyridin-4-olate

Systemtic Name: 1-(4-chlorophenyl)-3-cyano-2-methyl-5-pyridin-1-ium-1-yl-6-sulfanylidene-pyridin-4-olate Openeye Name: 1-(4-chlorophenyl)-3-cyano-2-methyl-5-pyridin-1-ium-1-yl-6-thioxo-pyridin-4-olate CAS Name: 1-(4-chlorophenyl)-3-cyano-2-methyl-5-(1-pyridin-1-iumyl)-6-sulfanylidene-4-pyridinolate IUPAC Name: 1-(4-chlorophenyl)-3-cyano-2-methyl-5-pyridin-1-ium-1-yl-6-sulfanylidenepyridin-4-olate Traditional Name: 1-(4-chlorophenyl)-3-cyano-2-methyl-5-pyridin-1-ium-1-yl-6-thioxo-pyridin-4-olate Formula: C18H12ClN3OS MolecularWeight: 353.82538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=S)N1C2=CC=C(C=C2)Cl)[N+]3=CC=CC=C3)[O-])C#N

Isomeric SMILES

CC1=C(C(=C(C(=S)N1C2=CC=C(C=C2)Cl)[N+]3=CC=CC=C3)[O-])C#N

InChI

InChI=1S/C18H12ClN3OS/c1-12-15(11-20)17(23)16(21-9-3-2-4-10-21)18(24)22(12)14-7-5-13(19)6-8-14/h2-10H,1H3