4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(3-phenylsulfanylpropyl)butanamide

Systemtic Name: 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(3-phenylsulfanylpropyl)butanamide Openeye Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(3-phenylsulfanylpropyl)butanamide CAS Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[3-(phenylthio)propyl]butanamide IUPAC Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(3-phenylsulfanylpropyl)butanamide Traditional Name: 4-keto-4-(3-phenyl-2-pyrazolin-1-yl)-N-[3-(phenylthio)propyl]butyramide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c26-21(23-15-7-17-28-19-10-5-2-6-11-19)12-13-22(27)25-16-14-20(24-25)18-8-3-1-4-9-18/h1-6,8-11H,7,12-17H2,(H,23,26)