3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide

Systemtic Name: 3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide Openeye Name: 3-phenyl-N-[4-(3-pyridylmethylsulfanyl)phenyl]butanamide CAS Name: 3-phenyl-N-[4-(3-pyridinylmethylthio)phenyl]butanamide IUPAC Name: 3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide Traditional Name: 3-phenyl-N-[4-(3-pyridylmethylthio)phenyl]butyramide Formula: C22H22N2OS MolecularWeight: 362.48788

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=C(C=C1)SCC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)NC1=CC=C(C=C1)SCC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2OS/c1-17(19-7-3-2-4-8-19)14-22(25)24-20-9-11-21(12-10-20)26-16-18-6-5-13-23-15-18/h2-13,15,17H,14,16H2,1H3,(H,24,25)