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

Systemtic Name: N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]-4-methyl-benzamide Openeye Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-4-methyl-benzamide CAS Name: N-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]-4-methylbenzamide IUPAC Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-4-methylbenzamide Traditional Name: N-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]-4-methyl-benzamide Formula: C19H16N4OS MolecularWeight: 348.42154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C(=NN2)SCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C(=NN2)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C19H16N4OS/c1-13-7-9-15(10-8-13)18(24)21-17-16(11-20)19(23-22-17)25-12-14-5-3-2-4-6-14/h2-10H,12H2,1H3,(H2,21,22,23,24)