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

Systemtic Name: N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]-2-methyl-propanamide Openeye Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-2-methyl-propanamide CAS Name: N-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]-2-methylpropanamide IUPAC Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-2-methylpropanamide Traditional Name: N-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]-2-methyl-propionamide Formula: C15H16N4OS MolecularWeight: 300.37874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4OS/c1-10(2)14(20)17-13-12(8-16)15(19-18-13)21-9-11-6-4-3-5-7-11/h3-7,10H,9H2,1-2H3,(H2,17,18,19,20)