N-(4-cyano-5-ethylsulfanyl-1-phenyl-pyrazol-3-yl)-3-methyl-butanamide

Systemtic Name: N-(4-cyano-5-ethylsulfanyl-1-phenyl-pyrazol-3-yl)-3-methyl-butanamide Openeye Name: N-(4-cyano-5-ethylsulfanyl-1-phenyl-pyrazol-3-yl)-3-methyl-butanamide CAS Name: N-[4-cyano-5-(ethylthio)-1-phenyl-3-pyrazolyl]-3-methylbutanamide IUPAC Name: N-(4-cyano-5-ethylsulfanyl-1-phenylpyrazol-3-yl)-3-methylbutanamide Traditional Name: N-[4-cyano-5-(ethylthio)-1-phenyl-pyrazol-3-yl]-3-methyl-butyramide Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)CC(C)C)C#N

Isomeric SMILES

CCSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)CC(C)C)C#N

InChI

InChI=1S/C17H20N4OS/c1-4-23-17-14(11-18)16(19-15(22)10-12(2)3)20-21(17)13-8-6-5-7-9-13/h5-9,12H,4,10H2,1-3H3,(H,19,20,22)