N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]-2,2-dimethyl-propanamide Openeye Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-2,2-dimethyl-propanamide CAS Name: N-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]-2,2-dimethylpropanamide IUPAC Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-2,2-dimethylpropanamide Traditional Name: N-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]-2,2-dimethyl-propionamide Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=C(C(=NN1)SCC2=CC=CC=C2)C#N

Isomeric SMILES

CC(C)(C)C(=O)NC1=C(C(=NN1)SCC2=CC=CC=C2)C#N

InChI

InChI=1S/C16H18N4OS/c1-16(2,3)15(21)18-13-12(9-17)14(20-19-13)22-10-11-7-5-4-6-8-11/h4-8H,10H2,1-3H3,(H2,18,19,20,21)