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

Systemtic Name: 2-(4-bromanyl-3-methyl-phenoxy)-N-[[(5-methyl-1H-pyrazol-3-yl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-3-methyl-phenoxy)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-bromo-3-methylphenoxy)-N-[[[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-3-methylphenoxy)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromo-3-methyl-phenoxy)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]thiocarbamoyl]acetamide Formula: C15H16BrN5O3S MolecularWeight: 426.28824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN5O3S/c1-8-5-10(3-4-11(8)16)24-7-13(22)17-15(25)21-20-14(23)12-6-9(2)18-19-12/h3-6H,7H2,1-2H3,(H,18,19)(H,20,23)(H2,17,21,22,25)