4-bromanyl-2,5-dimethyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-2,5-dimethyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]pyrazole-3-carboxamide Openeye Name: 4-bromo-2,5-dimethyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]pyrazole-3-carboxamide CAS Name: 4-bromo-2,5-dimethyl-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]-3-pyrazolecarboxamide IUPAC Name: 4-bromo-2,5-dimethyl-N-[(2-methyl-5-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide Traditional Name: 4-bromo-2,5-dimethyl-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]pyrazole-3-carboxamide Formula: C14H14BrN5O3S MolecularWeight: 412.26166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=C(C(=NN2C)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=C(C(=NN2C)C)Br

InChI

InChI=1S/C14H14BrN5O3S/c1-7-4-5-9(20(22)23)6-10(7)16-14(24)17-13(21)12-11(15)8(2)18-19(12)3/h4-6H,1-3H3,(H2,16,17,21,24)