N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-phenylsulfanyl-butanamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-phenylsulfanyl-butanamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-4-(phenylthio)butanamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-4-phenylsulfanylbutanamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-4-(phenylthio)butyramide Formula: C23H25N5OS MolecularWeight: 419.5425

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)CCCSC3=CC=CC=C3)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)CCCSC3=CC=CC=C3)C#N)N

InChI

InChI=1S/C23H25N5OS/c24-17-20-21(27-28(23(20)25)18-9-3-1-4-10-18)13-7-15-26-22(29)14-8-16-30-19-11-5-2-6-12-19/h1-6,9-12H,7-8,13-16,25H2,(H,26,29)