2-(2-cyanophenyl)sulfanyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide

Systemtic Name: 2-(2-cyanophenyl)sulfanyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide Openeye Name: 2-(2-cyanophenyl)sulfanyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide CAS Name: 2-[(2-cyanophenyl)thio]-N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]benzamide IUPAC Name: 2-(2-cyanophenyl)sulfanyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide Traditional Name: 2-[(2-cyanophenyl)thio]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C

InChI

InChI=1S/C22H22N4OS/c1-16-14-17(2)26(25-16)13-7-12-24-22(27)19-9-4-6-11-21(19)28-20-10-5-3-8-18(20)15-23/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,24,27)