4-bromanyl-N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]-1-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]-1-ethyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]-1-ethyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[(2,4-dimethyl-6-nitroanilino)-sulfanylidenemethyl]-1-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[(2,4-dimethyl-6-nitro-phenyl)thiocarbamoyl]-1-ethyl-pyrazole-3-carboxamide Formula: C15H16BrN5O3S MolecularWeight: 426.28824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN5O3S/c1-4-20-7-10(16)13(19-20)14(22)18-15(25)17-12-9(3)5-8(2)6-11(12)21(23)24/h5-7H,4H2,1-3H3,(H2,17,18,22,25)