4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]butanamide

Systemtic Name: 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]butanamide Openeye Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]butanamide CAS Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]butanamide IUPAC Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]butanamide Traditional Name: 4-keto-4-(3-phenyl-2-pyrazolin-1-yl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]butyramide Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C25H21N3O2S/c29-24(26-21-9-4-6-19(18-21)11-12-22-10-5-17-31-22)13-14-25(30)28-16-15-23(27-28)20-7-2-1-3-8-20/h1-10,17-18H,13-16H2,(H,26,29)