2-[4-(2-diethylaminoethyloxy)phenyl]-3-(4-heptylsulfanylphenyl)prop-2-enenitrile chloride

Systemtic Name: 2-[4-(2-diethylaminoethyloxy)phenyl]-3-(4-heptylsulfanylphenyl)prop-2-enenitrile chloride Openeye Name: 2-[4-(2-diethylaminoethyloxy)phenyl]-3-(4-heptylsulfanylphenyl)prop-2-enenitrile chloride CAS Name: 2-[4-(2-diethylaminoethyloxy)phenyl]-3-[4-(heptylthio)phenyl]-2-propenenitrile chloride IUPAC Name: 2-[4-(2-diethylaminoethyloxy)phenyl]-3-(4-heptylsulfanylphenyl)prop-2-enenitrile chloride Traditional Name: 2-[4-(2-diethylaminoethyloxy)phenyl]-3-[4-(heptylthio)phenyl]acrylonitrile chloride Formula: C28H38ClN2OS- MolecularWeight: 486.13212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=CC=C(C=C1)C=C(C#N)C2=CC=C(C=C2)OCCN(CC)CC.[Cl-]

Isomeric SMILES

CCCCCCCSC1=CC=C(C=C1)C=C(C#N)C2=CC=C(C=C2)OCCN(CC)CC.[Cl-]

InChI

InChI=1S/C28H38N2OS.ClH/c1-4-7-8-9-10-21-32-28-17-11-24(12-18-28)22-26(23-29)25-13-15-27(16-14-25)31-20-19-30(5-2)6-3;/h11-18,22H,4-10,19-21H2,1-3H3;1H/p-1