4-bromanyl-1-ethyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-1-ethyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]pyrazole-3-carboxamide Openeye Name: 4-bromo-1-ethyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]pyrazole-3-carboxamide CAS Name: 4-bromo-1-ethyl-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]-3-pyrazolecarboxamide IUPAC Name: 4-bromo-1-ethyl-N-[(2-methyl-5-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide Traditional Name: 4-bromo-1-ethyl-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:

CCN1C=C(C(=N1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])C)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])C)Br

InChI

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