2-azanyl-6-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-undecyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-undecyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-undecyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-undecylpyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-undecylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-4-undecyl-dinicotinonitrile Formula: C26H31ClN4OS MolecularWeight: 483.06854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C(C(=NC(=C1C#N)SCC(=O)C2=CC=C(C=C2)Cl)N)C#N

Isomeric SMILES

CCCCCCCCCCCC1=C(C(=NC(=C1C#N)SCC(=O)C2=CC=C(C=C2)Cl)N)C#N

InChI

InChI=1S/C26H31ClN4OS/c1-2-3-4-5-6-7-8-9-10-11-21-22(16-28)25(30)31-26(23(21)17-29)33-18-24(32)19-12-14-20(27)15-13-19/h12-15H,2-11,18H2,1H3,(H2,30,31)