5-[(5-bromanylfuran-2-yl)carbonylcarbamothioylamino]-1-tert-butyl-pyrazole-4-carboxamide

Systemtic Name: 5-[(5-bromanylfuran-2-yl)carbonylcarbamothioylamino]-1-tert-butyl-pyrazole-4-carboxamide Openeye Name: 5-[(5-bromofuran-2-carbonyl)carbamothioylamino]-1-tert-butyl-pyrazole-4-carboxamide CAS Name: 5-[[[[(5-bromo-2-furanyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-tert-butyl-4-pyrazolecarboxamide IUPAC Name: 5-[(5-bromofuran-2-carbonyl)carbamothioylamino]-1-tert-butylpyrazole-4-carboxamide Traditional Name: 5-[(5-bromo-2-furoyl)thiocarbamoylamino]-1-tert-butyl-pyrazole-4-carboxamide Formula: C14H16BrN5O3S MolecularWeight: 414.27754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C=N1)C(=O)N)NC(=S)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CC(C)(C)N1C(=C(C=N1)C(=O)N)NC(=S)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C14H16BrN5O3S/c1-14(2,3)20-11(7(6-17-20)10(16)21)18-13(24)19-12(22)8-4-5-9(15)23-8/h4-6H,1-3H3,(H2,16,21)(H2,18,19,22,24)