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S-(4-chlorophenyl) 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbothioate

S-(4-chlorophenyl) 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbothioate

Systemtic Name:S-(4-chlorophenyl) 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbothioate
Openeye Name:S-(4-chlorophenyl) 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbothioate
CAS Name:1-(4-nitrophenyl)-5-(trifluoromethyl)-4-pyrazolecarbothioic acid S-(4-chlorophenyl) ester
IUPAC Name:S-(4-chlorophenyl) 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbothioate
Traditional Name:1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbothioic acid S-(4-chlorophenyl) ester
Formula: C17H9ClF3N3O3S
MolecularWeight: 427.78487
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=C(C=N2)C(=O)SC3=CC=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-]


Isomeric SMILES

C1=CC(=CC=C1N2C(=C(C=N2)C(=O)SC3=CC=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-]


InChI

InChI=1S/C17H9ClF3N3O3S/c18-10-1-7-13(8-2-10)28-16(25)14-9-22-23(15(14)17(19,20)21)11-3-5-12(6-4-11)24(26)27/h1-9H


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