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

Systemtic Name: 3-chloranyl-2-[2-(2-cyanophenyl)sulfanylphenyl]-4-[(E)-hept-2-enoxy]benzamide Openeye Name: 3-chloro-2-[2-(2-cyanophenyl)sulfanylphenyl]-4-[(E)-hept-2-enoxy]benzamide CAS Name: 3-chloro-2-[2-[(2-cyanophenyl)thio]phenyl]-4-[(E)-hept-2-enoxy]benzamide IUPAC Name: 3-chloro-2-[2-(2-cyanophenyl)sulfanylphenyl]-4-[(E)-hept-2-enoxy]benzamide Traditional Name: 3-chloro-2-[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=C(C(=C(C=C1)C(=O)N)C2=CC=CC=C2SC3=CC=CC=C3C#N)Cl

Isomeric SMILES

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

InChI

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