(Z)-3-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]-2-phenyl-prop-2-enenitrile

Systemtic Name: (Z)-3-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]-2-phenyl-prop-2-enenitrile Openeye Name: (Z)-3-[2-[(4-chlorophenyl)methylsulfanyl]-3-quinolyl]-2-phenyl-prop-2-enenitrile CAS Name: (Z)-3-[2-[(4-chlorophenyl)methylthio]-3-quinolinyl]-2-phenyl-2-propenenitrile IUPAC Name: (Z)-3-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]-2-phenylprop-2-enenitrile Traditional Name: (Z)-3-[2-[(4-chlorobenzyl)thio]-3-quinolyl]-2-phenyl-acrylonitrile Formula: C25H17ClN2S MolecularWeight: 412.93388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CC2=CC3=CC=CC=C3N=C2SCC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)/C(=C/C2=CC3=CC=CC=C3N=C2SCC4=CC=C(C=C4)Cl)/C#N

InChI

InChI=1S/C25H17ClN2S/c26-23-12-10-18(11-13-23)17-29-25-21(14-20-8-4-5-9-24(20)28-25)15-22(16-27)19-6-2-1-3-7-19/h1-15H,17H2/b22-15+