4-(2-chlorophenyl)-5-cyano-2-oxidanyl-2-phenyl-3-(phenylcarbonyl)-3,4-dihydro-1H-pyridine-6-thiolate; 4-methylmorpholin-4-ium

Systemtic Name: 4-(2-chlorophenyl)-5-cyano-2-oxidanyl-2-phenyl-3-(phenylcarbonyl)-3,4-dihydro-1H-pyridine-6-thiolate; 4-methylmorpholin-4-ium Openeye Name: 3-benzoyl-4-(2-chlorophenyl)-5-cyano-2-hydroxy-2-phenyl-3,4-dihydro-1H-pyridine-6-thiolate; 4-methylmorpholin-4-ium CAS Name: 3-benzoyl-4-(2-chlorophenyl)-5-cyano-2-hydroxy-2-phenyl-3,4-dihydro-1H-pyridine-6-thiolate; 4-methylmorpholin-4-ium IUPAC Name: 3-benzoyl-4-(2-chlorophenyl)-5-cyano-2-hydroxy-2-phenyl-3,4-dihydro-1H-pyridine-6-thiolate; 4-methylmorpholin-4-ium Traditional Name: 3-benzoyl-4-(2-chlorophenyl)-5-cyano-2-hydroxy-2-phenyl-3,4-dihydro-1H-pyridine-6-thiolate; 4-methylmorpholin-4-ium Formula: C30H30ClN3O3S MolecularWeight: 548.0955

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCOCC1.C1=CC=C(C=C1)C(=O)C2C(C(=C(NC2(C3=CC=CC=C3)O)[S-])C#N)C4=CC=CC=C4Cl

Isomeric SMILES

C[NH+]1CCOCC1.C1=CC=C(C=C1)C(=O)C2C(C(=C(NC2(C3=CC=CC=C3)O)[S-])C#N)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H19ClN2O2S.C5H11NO/c26-20-14-8-7-13-18(20)21-19(15-27)24(31)28-25(30,17-11-5-2-6-12-17)22(21)23(29)16-9-3-1-4-10-16;1-6-2-4-7-5-3-6/h1-14,21-22,28,30-31H;2-5H2,1H3