N-[3-chloranyl-2-(2-cyanophenyl)sulfanyl-phenyl]-4-[(E)-hept-2-enoxy]benzamide

Systemtic Name: N-[3-chloranyl-2-(2-cyanophenyl)sulfanyl-phenyl]-4-[(E)-hept-2-enoxy]benzamide Openeye Name: N-[3-chloro-2-(2-cyanophenyl)sulfanyl-phenyl]-4-[(E)-hept-2-enoxy]benzamide CAS Name: N-[3-chloro-2-[(2-cyanophenyl)thio]phenyl]-4-[(E)-hept-2-enoxy]benzamide IUPAC Name: N-[3-chloro-2-(2-cyanophenyl)sulfanylphenyl]-4-[(E)-hept-2-enoxy]benzamide Traditional Name: N-[3-chloro-2-[(2-cyanophenyl)thio]phenyl]-4-[(E)-hept-2-enoxy]benzamide Formula: C27H25ClN2O2S MolecularWeight: 477.0176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CCOC1=CC=C(C=C1)C(=O)NC2=C(C(=CC=C2)Cl)SC3=CC=CC=C3C#N

Isomeric SMILES

CCCC/C=C/COC1=CC=C(C=C1)C(=O)NC2=C(C(=CC=C2)Cl)SC3=CC=CC=C3C#N

InChI

InChI=1S/C27H25ClN2O2S/c1-2-3-4-5-8-18-32-22-16-14-20(15-17-22)27(31)30-24-12-9-11-23(28)26(24)33-25-13-7-6-10-21(25)19-29/h5-17H,2-4,18H2,1H3,(H,30,31)/b8-5+