5-tert-butyl-2-methyl-N-[(3-phenoxyphenyl)carbamothioyl]pyrazole-3-carboxamide

Systemtic Name: 5-tert-butyl-2-methyl-N-[(3-phenoxyphenyl)carbamothioyl]pyrazole-3-carboxamide Openeye Name: 5-tert-butyl-2-methyl-N-[(3-phenoxyphenyl)carbamothioyl]pyrazole-3-carboxamide CAS Name: 5-tert-butyl-2-methyl-N-[(3-phenoxyanilino)-sulfanylidenemethyl]-3-pyrazolecarboxamide IUPAC Name: 5-tert-butyl-2-methyl-N-[(3-phenoxyphenyl)carbamothioyl]pyrazole-3-carboxamide Traditional Name: 5-tert-butyl-2-methyl-N-[(3-phenoxyphenyl)thiocarbamoyl]pyrazole-3-carboxamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OC3=CC=CC=C3)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OC3=CC=CC=C3)C

InChI

InChI=1S/C22H24N4O2S/c1-22(2,3)19-14-18(26(4)25-19)20(27)24-21(29)23-15-9-8-12-17(13-15)28-16-10-6-5-7-11-16/h5-14H,1-4H3,(H2,23,24,27,29)