2-[5-ethenylsulfanyl-2-[1-ethyl-4-oxidanylidene-5-[2-(7-phenylheptyl)phenyl]pyridin-3-yl]phenyl]ethanenitrile

Systemtic Name: 2-[5-ethenylsulfanyl-2-[1-ethyl-4-oxidanylidene-5-[2-(7-phenylheptyl)phenyl]pyridin-3-yl]phenyl]ethanenitrile Openeye Name: 2-[2-[1-ethyl-4-oxo-5-[2-(7-phenylheptyl)phenyl]-3-pyridyl]-5-vinylsulfanyl-phenyl]acetonitrile CAS Name: 2-[5-(ethenylthio)-2-[1-ethyl-4-oxo-5-[2-(7-phenylheptyl)phenyl]-3-pyridinyl]phenyl]acetonitrile IUPAC Name: 2-[5-ethenylsulfanyl-2-[1-ethyl-4-oxo-5-[2-(7-phenylheptyl)phenyl]pyridin-3-yl]phenyl]acetonitrile Traditional Name: 2-[2-[1-ethyl-4-keto-5-[2-(7-phenylheptyl)phenyl]-3-pyridyl]-5-(vinylthio)phenyl]acetonitrile Formula: C36H38N2OS MolecularWeight: 546.76472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C(=C1)C2=CC=CC=C2CCCCCCCC3=CC=CC=C3)C4=C(C=C(C=C4)SC=C)CC#N

Isomeric SMILES

CCN1C=C(C(=O)C(=C1)C2=CC=CC=C2CCCCCCCC3=CC=CC=C3)C4=C(C=C(C=C4)SC=C)CC#N

InChI

InChI=1S/C36H38N2OS/c1-3-38-26-34(36(39)35(27-38)33-22-21-31(40-4-2)25-30(33)23-24-37)32-20-14-13-19-29(32)18-12-7-5-6-9-15-28-16-10-8-11-17-28/h4,8,10-11,13-14,16-17,19-22,25-27H,2-3,5-7,9,12,15,18,23H2,1H3