ethyl 2-tert-butyl-5-[(5-oxidanylidene-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 2-tert-butyl-5-[(5-oxidanylidene-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazole-3-carboxylate Openeye Name: ethyl 2-tert-butyl-5-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazole-3-carboxylate CAS Name: 2-tert-butyl-5-[[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-tert-butyl-5-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazole-3-carboxylate Traditional Name: 2-tert-butyl-5-[[(5-keto-4-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]pyrazole-3-carboxylic acid ethyl ester Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C(C)(C)C)CSC2=NNC(=O)N2C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C(C)(C)C)CSC2=NNC(=O)N2C3=CC=CC=C3

InChI

InChI=1S/C19H23N5O3S/c1-5-27-16(25)15-11-13(22-24(15)19(2,3)4)12-28-18-21-20-17(26)23(18)14-9-7-6-8-10-14/h6-11H,5,12H2,1-4H3,(H,20,26)