N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-2-methyl-benzamide

Systemtic Name: N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-2-methyl-benzamide Openeye Name: N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-2-methyl-benzamide CAS Name: N-[4-cyano-3-(methylthio)-1H-pyrazol-5-yl]-2-methylbenzamide IUPAC Name: N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-2-methylbenzamide Traditional Name: N-[4-cyano-3-(methylthio)-1H-pyrazol-5-yl]-2-methyl-benzamide Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=C(C(=NN2)SC)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(C(=NN2)SC)C#N

InChI

InChI=1S/C13H12N4OS/c1-8-5-3-4-6-9(8)12(18)15-11-10(7-14)13(19-2)17-16-11/h3-6H,1-2H3,(H2,15,16,17,18)