5-chloranyl-2-[2-(2-cyanophenyl)sulfanylphenyl]-4-[(E)-hept-2-enoxy]benzamide

Systemtic Name: 5-chloranyl-2-[2-(2-cyanophenyl)sulfanylphenyl]-4-[(E)-hept-2-enoxy]benzamide Openeye Name: 5-chloro-2-[2-(2-cyanophenyl)sulfanylphenyl]-4-[(E)-hept-2-enoxy]benzamide CAS Name: 5-chloro-2-[2-[(2-cyanophenyl)thio]phenyl]-4-[(E)-hept-2-enoxy]benzamide IUPAC Name: 5-chloro-2-[2-(2-cyanophenyl)sulfanylphenyl]-4-[(E)-hept-2-enoxy]benzamide Traditional Name: 5-chloro-2-[2-[(2-cyanophenyl)thio]phenyl]-4-[(E)-hept-2-enoxy]benzamide Formula: C27H25ClN2O2S MolecularWeight: 477.0176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CCOC1=C(C=C(C(=C1)C2=CC=CC=C2SC3=CC=CC=C3C#N)C(=O)N)Cl

Isomeric SMILES

CCCC/C=C/COC1=C(C=C(C(=C1)C2=CC=CC=C2SC3=CC=CC=C3C#N)C(=O)N)Cl

InChI

InChI=1S/C27H25ClN2O2S/c1-2-3-4-5-10-15-32-24-17-21(22(27(30)31)16-23(24)28)20-12-7-9-14-26(20)33-25-13-8-6-11-19(25)18-29/h5-14,16-17H,2-4,15H2,1H3,(H2,30,31)/b10-5+