S-(4-chlorophenyl) 1-tert-butyl-5-methyl-pyrazole-3-carbothioate

Systemtic Name: S-(4-chlorophenyl) 1-tert-butyl-5-methyl-pyrazole-3-carbothioate Openeye Name: S-(4-chlorophenyl) 1-tert-butyl-5-methyl-pyrazole-3-carbothioate CAS Name: 1-tert-butyl-5-methyl-3-pyrazolecarbothioic acid S-(4-chlorophenyl) ester IUPAC Name: S-(4-chlorophenyl) 1-tert-butyl-5-methylpyrazole-3-carbothioate Traditional Name: 1-tert-butyl-5-methyl-pyrazole-3-carbothioic acid S-(4-chlorophenyl) ester Formula: C15H17ClN2OS MolecularWeight: 308.82628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C)(C)C)C(=O)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=NN1C(C)(C)C)C(=O)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H17ClN2OS/c1-10-9-13(17-18(10)15(2,3)4)14(19)20-12-7-5-11(16)6-8-12/h5-9H,1-4H3