S-phenyl 5-tert-butyl-2-methyl-pyrazole-3-carbothioate

Systemtic Name: S-phenyl 5-tert-butyl-2-methyl-pyrazole-3-carbothioate Openeye Name: S-phenyl 5-tert-butyl-2-methyl-pyrazole-3-carbothioate CAS Name: 5-tert-butyl-2-methyl-3-pyrazolecarbothioic acid S-phenyl ester IUPAC Name: S-phenyl 5-tert-butyl-2-methylpyrazole-3-carbothioate Traditional Name: 5-tert-butyl-2-methyl-pyrazole-3-carbothioic acid S-phenyl ester Formula: C15H18N2OS MolecularWeight: 274.38122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)SC2=CC=CC=C2)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)SC2=CC=CC=C2)C

InChI

InChI=1S/C15H18N2OS/c1-15(2,3)13-10-12(17(4)16-13)14(18)19-11-8-6-5-7-9-11/h5-10H,1-4H3