N-[2-(3-cyanopyridin-4-yl)-1-phenyl-ethyl]-4-methyl-benzenesulfinamide

Systemtic Name: N-[2-(3-cyanopyridin-4-yl)-1-phenyl-ethyl]-4-methyl-benzenesulfinamide Openeye Name: N-[2-(3-cyano-4-pyridyl)-1-phenyl-ethyl]-4-methyl-benzenesulfinamide CAS Name: N-[2-(3-cyano-4-pyridinyl)-1-phenylethyl]-4-methylbenzenesulfinamide IUPAC Name: N-[2-(3-cyanopyridin-4-yl)-1-phenylethyl]-4-methylbenzenesulfinamide Traditional Name: N-[2-(3-cyano-4-pyridyl)-1-phenyl-ethyl]-4-methyl-benzenesulfinamide Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)NC(CC2=C(C=NC=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)[S@](=O)NC(CC2=C(C=NC=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3OS/c1-16-7-9-20(10-8-16)26(25)24-21(17-5-3-2-4-6-17)13-18-11-12-23-15-19(18)14-22/h2-12,15,21,24H,13H2,1H3/t21?,26-/m0/s1