N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-(4-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-(4-methylphenyl)sulfanyl-ethanamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-(p-tolylsulfanyl)acetamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-2-[(4-methylphenyl)thio]acetamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-(p-tolylthio)acetamide Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3

InChI

InChI=1S/C22H23N5OS/c1-16-9-11-18(12-10-16)29-15-21(28)25-13-5-8-20-19(14-23)22(24)27(26-20)17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13,15,24H2,1H3,(H,25,28)