S-(4-methylphenyl) 5-methyl-1-[2,4,6-tris(chloranyl)phenyl]pyrazole-3-carbothioate

Systemtic Name: S-(4-methylphenyl) 5-methyl-1-[2,4,6-tris(chloranyl)phenyl]pyrazole-3-carbothioate Openeye Name: S-(p-tolyl) 5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carbothioate CAS Name: 5-methyl-1-(2,4,6-trichlorophenyl)-3-pyrazolecarbothioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carbothioate Traditional Name: 5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carbothioic acid S-(p-tolyl) ester Formula: C18H13Cl3N2OS MolecularWeight: 411.73262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C2=NN(C(=C2)C)C3=C(C=C(C=C3Cl)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)C2=NN(C(=C2)C)C3=C(C=C(C=C3Cl)Cl)Cl

InChI

InChI=1S/C18H13Cl3N2OS/c1-10-3-5-13(6-4-10)25-18(24)16-7-11(2)23(22-16)17-14(20)8-12(19)9-15(17)21/h3-9H,1-2H3