4-(5-methoxy-2-oxidanyl-phenyl)carbonyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carbothioamide

Systemtic Name: 4-(5-methoxy-2-oxidanyl-phenyl)carbonyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carbothioamide Openeye Name: 4-(2-hydroxy-5-methoxy-benzoyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carbothioamide CAS Name: 4-[(2-hydroxy-5-methoxyphenyl)-oxomethyl]-N-[3-(trifluoromethyl)phenyl]-1-pyrazolecarbothioamide IUPAC Name: 4-(2-hydroxy-5-methoxybenzoyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carbothioamide Traditional Name: 4-(2-hydroxy-5-methoxy-benzoyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carbothioamide Formula: C19H14F3N3O3S MolecularWeight: 421.39297

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H14F3N3O3S/c1-28-14-5-6-16(26)15(8-14)17(27)11-9-23-25(10-11)18(29)24-13-4-2-3-12(7-13)19(20,21)22/h2-10,26H,1H3,(H,24,29)