2,6-diethoxy-N-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]benzenecarbothioamide

Systemtic Name: 2,6-diethoxy-N-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]benzenecarbothioamide Openeye Name: N-[5-(1,1-dimethylpropyl)-1H-pyrazol-3-yl]-2,6-diethoxy-benzenecarbothioamide CAS Name: 2,6-diethoxy-N-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]benzenecarbothioamide IUPAC Name: 2,6-diethoxy-N-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]benzenecarbothioamide Traditional Name: N-(5-tert-amyl-1H-pyrazol-3-yl)-2,6-diethoxy-thiobenzamide Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=NN1)NC(=S)C2=C(C=CC=C2OCC)OCC

Isomeric SMILES

CCC(C)(C)C1=CC(=NN1)NC(=S)C2=C(C=CC=C2OCC)OCC

InChI

InChI=1S/C19H27N3O2S/c1-6-19(4,5)15-12-16(22-21-15)20-18(25)17-13(23-7-2)10-9-11-14(17)24-8-3/h9-12H,6-8H2,1-5H3,(H2,20,21,22,25)