2,5-dimethyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyrazole-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-N-[[4-pentoxy-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyrazole-3-carboxamide Traditional Name: N-[[4-amoxy-3-(trifluoromethyl)phenyl]thiocarbamoyl]-2,5-dimethyl-pyrazole-3-carboxamide Formula: C19H23F3N4O2S MolecularWeight: 428.47173

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=NN2C)C)C(F)(F)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=NN2C)C)C(F)(F)F

InChI

InChI=1S/C19H23F3N4O2S/c1-4-5-6-9-28-16-8-7-13(11-14(16)19(20,21)22)23-18(29)24-17(27)15-10-12(2)25-26(15)3/h7-8,10-11H,4-6,9H2,1-3H3,(H2,23,24,27,29)