1-(6-oxidanylidene-1H-pyridazin-3-yl)-N-(3-phenylsulfanylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: 1-(6-oxidanylidene-1H-pyridazin-3-yl)-N-(3-phenylsulfanylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: 1-(6-oxo-1H-pyridazin-3-yl)-N-(3-phenylsulfanylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: 1-(6-oxo-1H-pyridazin-3-yl)-N-[3-(phenylthio)propyl]-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: 1-(6-oxo-1H-pyridazin-3-yl)-N-(3-phenylsulfanylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: 1-(6-keto-1H-pyridazin-3-yl)-N-[3-(phenylthio)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C18H16F3N5O2S MolecularWeight: 423.41215

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F

InChI

InChI=1S/C18H16F3N5O2S/c19-18(20,21)16-13(11-23-26(16)14-7-8-15(27)25-24-14)17(28)22-9-4-10-29-12-5-2-1-3-6-12/h1-3,5-8,11H,4,9-10H2,(H,22,28)(H,25,27)