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

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-[(4-chlorophenyl)methylsulfanyl]ethanamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-2-[(4-chlorophenyl)methylthio]acetamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-[(4-chlorobenzyl)thio]acetamide Formula: C22H22ClN5OS MolecularWeight: 439.96098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)CSCC3=CC=C(C=C3)Cl)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)CSCC3=CC=C(C=C3)Cl)C#N)N

InChI

InChI=1S/C22H22ClN5OS/c23-17-10-8-16(9-11-17)14-30-15-21(29)26-12-4-7-20-19(13-24)22(25)28(27-20)18-5-2-1-3-6-18/h1-3,5-6,8-11H,4,7,12,14-15,25H2,(H,26,29)