2-(4-bromanyl-2-chloranyl-phenoxy)-N-[[(5-methyl-1H-pyrazol-3-yl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-chloranyl-phenoxy)-N-[[(5-methyl-1H-pyrazol-3-yl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-chloro-phenoxy)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-bromo-2-chlorophenoxy)-N-[[[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-2-chlorophenoxy)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-chloro-phenoxy)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]thiocarbamoyl]acetamide Formula: C14H13BrClN5O3S MolecularWeight: 446.70672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)NNC(=S)NC(=O)COC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CC1=CC(=NN1)C(=O)NNC(=S)NC(=O)COC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C14H13BrClN5O3S/c1-7-4-10(19-18-7)13(23)20-21-14(25)17-12(22)6-24-11-3-2-8(15)5-9(11)16/h2-5H,6H2,1H3,(H,18,19)(H,20,23)(H2,17,21,22,25)