N-[[2,5-bis(trifluoromethyl)phenyl]carbamothioyl]-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[[2,5-bis(trifluoromethyl)phenyl]carbamothioyl]-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[[2,5-bis(trifluoromethyl)phenyl]carbamothioyl]-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[[2,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[[2,5-bis(trifluoromethyl)phenyl]carbamothioyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-[[2,5-bis(trifluoromethyl)phenyl]thiocarbamoyl]-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C26H18F6N4O2S MolecularWeight: 564.502139

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC(=S)NC3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC(=S)NC3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C26H18F6N4O2S/c1-38-18-10-7-15(8-11-18)22-19(14-36(35-22)17-5-3-2-4-6-17)23(37)34-24(39)33-21-13-16(25(27,28)29)9-12-20(21)26(30,31)32/h2-14H,1H3,(H2,33,34,37,39)