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

Systemtic Name: S-(4-methylphenyl) 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbothioate Openeye Name: S-(p-tolyl) 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbothioate CAS Name: 1-(4-nitrophenyl)-5-(trifluoromethyl)-4-pyrazolecarbothioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbothioate Traditional Name: 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbothioic acid S-(p-tolyl) ester Formula: C18H12F3N3O3S MolecularWeight: 407.36639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C18H12F3N3O3S/c1-11-2-8-14(9-3-11)28-17(25)15-10-22-23(16(15)18(19,20)21)12-4-6-13(7-5-12)24(26)27/h2-10H,1H3