4-tert-butyl-N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]benzamide Openeye Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]benzamide IUPAC Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-4-tert-butylbenzamide Traditional Name: N-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]-4-tert-butyl-benzamide Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C(=NN2)SCC3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C(=NN2)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C22H22N4OS/c1-22(2,3)17-11-9-16(10-12-17)20(27)24-19-18(13-23)21(26-25-19)28-14-15-7-5-4-6-8-15/h4-12H,14H2,1-3H3,(H2,24,25,26,27)