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

Systemtic Name: 5-[(5-bromanylfuran-2-yl)carbonylcarbamothioylamino]-1-(4-methylphenyl)pyrazole-4-carboxamide Openeye Name: 5-[(5-bromofuran-2-carbonyl)carbamothioylamino]-1-(p-tolyl)pyrazole-4-carboxamide CAS Name: 5-[[[[(5-bromo-2-furanyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-(4-methylphenyl)-4-pyrazolecarboxamide IUPAC Name: 5-[(5-bromofuran-2-carbonyl)carbamothioylamino]-1-(4-methylphenyl)pyrazole-4-carboxamide Traditional Name: 5-[(5-bromo-2-furoyl)thiocarbamoylamino]-1-(p-tolyl)pyrazole-4-carboxamide Formula: C17H14BrN5O3S MolecularWeight: 448.29376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N)NC(=S)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N)NC(=S)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C17H14BrN5O3S/c1-9-2-4-10(5-3-9)23-15(11(8-20-23)14(19)24)21-17(27)22-16(25)12-6-7-13(18)26-12/h2-8H,1H3,(H2,19,24)(H2,21,22,25,27)