2-[2-[4-(5-prop-2-enyl-1-propoxy-4-sulfanylidene-pyridin-3-yl)phenyl]ethyl]pentanenitrile

Systemtic Name: 2-[2-[4-(5-prop-2-enyl-1-propoxy-4-sulfanylidene-pyridin-3-yl)phenyl]ethyl]pentanenitrile Openeye Name: 2-[2-[4-(5-allyl-1-propoxy-4-thioxo-3-pyridyl)phenyl]ethyl]pentanenitrile CAS Name: 2-[2-[4-(5-prop-2-enyl-1-propoxy-4-sulfanylidene-3-pyridinyl)phenyl]ethyl]pentanenitrile IUPAC Name: 2-[2-[4-(5-prop-2-enyl-1-propoxy-4-sulfanylidenepyridin-3-yl)phenyl]ethyl]pentanenitrile Traditional Name: 2-[2-[4-(5-allyl-1-propoxy-4-thioxo-3-pyridyl)phenyl]ethyl]valeronitrile Formula: C24H30N2OS MolecularWeight: 394.5728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC1=CC=C(C=C1)C2=CN(C=C(C2=S)CC=C)OCCC)C#N

Isomeric SMILES

CCCC(CCC1=CC=C(C=C1)C2=CN(C=C(C2=S)CC=C)OCCC)C#N

InChI

InChI=1S/C24H30N2OS/c1-4-7-20(16-25)10-9-19-11-13-21(14-12-19)23-18-26(27-15-6-3)17-22(8-5-2)24(23)28/h5,11-14,17-18,20H,2,4,6-10,15H2,1,3H3