3-(4-nitrophenyl)-5-oxidanyl-5-(trichloromethyl)-4H-pyrazole-1-carbothioamide

Systemtic Name: 3-(4-nitrophenyl)-5-oxidanyl-5-(trichloromethyl)-4H-pyrazole-1-carbothioamide Openeye Name: 5-hydroxy-3-(4-nitrophenyl)-5-(trichloromethyl)-4H-pyrazole-1-carbothioamide CAS Name: 5-hydroxy-3-(4-nitrophenyl)-5-(trichloromethyl)-4H-pyrazole-1-carbothioamide IUPAC Name: 5-hydroxy-3-(4-nitrophenyl)-5-(trichloromethyl)-4H-pyrazole-1-carbothioamide Traditional Name: 5-hydroxy-3-(4-nitrophenyl)-5-(trichloromethyl)-2-pyrazoline-1-carbothioamide Formula: C11H9Cl3N4O3S MolecularWeight: 383.63816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1(C(Cl)(Cl)Cl)O)C(=S)N)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1C(=NN(C1(C(Cl)(Cl)Cl)O)C(=S)N)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H9Cl3N4O3S/c12-11(13,14)10(19)5-8(16-17(10)9(15)22)6-1-3-7(4-2-6)18(20)21/h1-4,19H,5H2,(H2,15,22)