5-[3-[5-(3-chloranyl-4-heptylsulfanyl-phenyl)-1-methyl-4-oxidanylidene-pyridin-3-yl]phenyl]-2-methyl-pentanenitrile

Systemtic Name: 5-[3-[5-(3-chloranyl-4-heptylsulfanyl-phenyl)-1-methyl-4-oxidanylidene-pyridin-3-yl]phenyl]-2-methyl-pentanenitrile Openeye Name: 5-[3-[5-(3-chloro-4-heptylsulfanyl-phenyl)-1-methyl-4-oxo-3-pyridyl]phenyl]-2-methyl-pentanenitrile CAS Name: 5-[3-[5-[3-chloro-4-(heptylthio)phenyl]-1-methyl-4-oxo-3-pyridinyl]phenyl]-2-methylpentanenitrile IUPAC Name: 5-[3-[5-(3-chloro-4-heptylsulfanylphenyl)-1-methyl-4-oxopyridin-3-yl]phenyl]-2-methylpentanenitrile Traditional Name: 5-[3-[5-[3-chloro-4-(heptylthio)phenyl]-4-keto-1-methyl-3-pyridyl]phenyl]-2-methyl-valeronitrile Formula: C31H37ClN2OS MolecularWeight: 521.15628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=C(C=C(C=C1)C2=CN(C=C(C2=O)C3=CC(=CC=C3)CCCC(C)C#N)C)Cl

Isomeric SMILES

CCCCCCCSC1=C(C=C(C=C1)C2=CN(C=C(C2=O)C3=CC(=CC=C3)CCCC(C)C#N)C)Cl

InChI

InChI=1S/C31H37ClN2OS/c1-4-5-6-7-8-17-36-30-16-15-26(19-29(30)32)28-22-34(3)21-27(31(28)35)25-14-10-13-24(18-25)12-9-11-23(2)20-33/h10,13-16,18-19,21-23H,4-9,11-12,17H2,1-3H3