N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)propanamide

Systemtic Name: N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)propanamide Openeye Name: N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)propanamide CAS Name: N-[4-cyano-5-(methylthio)-1-phenyl-3-pyrazolyl]propanamide IUPAC Name: N-(4-cyano-5-methylsulfanyl-1-phenylpyrazol-3-yl)propanamide Traditional Name: N-[4-cyano-5-(methylthio)-1-phenyl-pyrazol-3-yl]propionamide Formula: C14H14N4OS MolecularWeight: 286.35216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NN(C(=C1C#N)SC)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)NC1=NN(C(=C1C#N)SC)C2=CC=CC=C2

InChI

InChI=1S/C14H14N4OS/c1-3-12(19)16-13-11(9-15)14(20-2)18(17-13)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,16,17,19)