ethyl 2,6,6-tricyano-5-phenyl-3-(phenylmethylsulfanyl)hexa-2,5-dienoate

Systemtic Name: ethyl 2,6,6-tricyano-5-phenyl-3-(phenylmethylsulfanyl)hexa-2,5-dienoate Openeye Name: ethyl 3-benzylsulfanyl-2,6,6-tricyano-5-phenyl-hexa-2,5-dienoate CAS Name: 2,6,6-tricyano-5-phenyl-3-(phenylmethylthio)hexa-2,5-dienoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2,6,6-tricyano-5-phenylhexa-2,5-dienoate Traditional Name: 3-(benzylthio)-2,6,6-tricyano-5-phenyl-hexa-2,5-dienoic acid ethyl ester Formula: C24H19N3O2S MolecularWeight: 413.49156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(CC(=C(C#N)C#N)C1=CC=CC=C1)SCC2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)C(=C(CC(=C(C#N)C#N)C1=CC=CC=C1)SCC2=CC=CC=C2)C#N

InChI

InChI=1S/C24H19N3O2S/c1-2-29-24(28)22(16-27)23(30-17-18-9-5-3-6-10-18)13-21(20(14-25)15-26)19-11-7-4-8-12-19/h3-12H,2,13,17H2,1H3