N-(5-chloranylpyridin-2-yl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide Openeye Name: N-(5-chloro-2-pyridyl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide CAS Name: N-(5-chloro-2-pyridinyl)-2-[[4-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]propanamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanamide Traditional Name: N-(5-chloro-2-pyridyl)-2-[[4-[[(E)-3-phenylacryloyl]amino]phenyl]thio]propionamide Formula: C23H20ClN3O2S MolecularWeight: 437.9418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=CC=C(C=C2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H20ClN3O2S/c1-16(23(29)27-21-13-8-18(24)15-25-21)30-20-11-9-19(10-12-20)26-22(28)14-7-17-5-3-2-4-6-17/h2-16H,1H3,(H,26,28)(H,25,27,29)/b14-7+