N-(3-chloranyl-4-methoxy-phenyl)-3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-3-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(3-chloro-4-methoxyphenyl)-3-[(3-cyano-6-phenyl-2-pyridinyl)thio]propanamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-3-(3-cyano-6-phenylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-3-[(3-cyano-6-phenyl-2-pyridyl)thio]propionamide Formula: C22H18ClN3O2S MolecularWeight: 423.91522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N)Cl

InChI

InChI=1S/C22H18ClN3O2S/c1-28-20-10-8-17(13-18(20)23)25-21(27)11-12-29-22-16(14-24)7-9-19(26-22)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,25,27)