2-(4-chloranyl-2-methyl-phenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-N-[4-(3-pyridylmethylsulfanyl)phenyl]propanamide CAS Name: 2-(4-chloro-2-methylphenoxy)-N-[4-(3-pyridinylmethylthio)phenyl]propanamide IUPAC Name: 2-(4-chloro-2-methylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-N-[4-(3-pyridylmethylthio)phenyl]propionamide Formula: C22H21ClN2O2S MolecularWeight: 412.93234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C22H21ClN2O2S/c1-15-12-18(23)5-10-21(15)27-16(2)22(26)25-19-6-8-20(9-7-19)28-14-17-4-3-11-24-13-17/h3-13,16H,14H2,1-2H3,(H,25,26)