N-[(4-cyanophenyl)methyl]-2-phenylsulfanyl-propanamide

Systemtic Name: N-[(4-cyanophenyl)methyl]-2-phenylsulfanyl-propanamide Openeye Name: N-[(4-cyanophenyl)methyl]-2-phenylsulfanyl-propanamide CAS Name: N-[(4-cyanophenyl)methyl]-2-(phenylthio)propanamide IUPAC Name: N-[(4-cyanophenyl)methyl]-2-phenylsulfanylpropanamide Traditional Name: N-(4-cyanobenzyl)-2-(phenylthio)propionamide Formula: C17H16N2OS MolecularWeight: 296.38674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C#N)SC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C#N)SC2=CC=CC=C2

InChI

InChI=1S/C17H16N2OS/c1-13(21-16-5-3-2-4-6-16)17(20)19-12-15-9-7-14(11-18)8-10-15/h2-10,13H,12H2,1H3,(H,19,20)