N-[(2-bromophenyl)carbamothioyl]-1-ethyl-pyrazole-4-carboxamide

Systemtic Name: N-[(2-bromophenyl)carbamothioyl]-1-ethyl-pyrazole-4-carboxamide Openeye Name: N-[(2-bromophenyl)carbamothioyl]-1-ethyl-pyrazole-4-carboxamide CAS Name: N-[(2-bromoanilino)-sulfanylidenemethyl]-1-ethyl-4-pyrazolecarboxamide IUPAC Name: N-[(2-bromophenyl)carbamothioyl]-1-ethylpyrazole-4-carboxamide Traditional Name: N-[(2-bromophenyl)thiocarbamoyl]-1-ethyl-pyrazole-4-carboxamide Formula: C13H13BrN4OS MolecularWeight: 353.23752

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)NC(=S)NC2=CC=CC=C2Br

Isomeric SMILES

CCN1C=C(C=N1)C(=O)NC(=S)NC2=CC=CC=C2Br

InChI

InChI=1S/C13H13BrN4OS/c1-2-18-8-9(7-15-18)12(19)17-13(20)16-11-6-4-3-5-10(11)14/h3-8H,2H2,1H3,(H2,16,17,19,20)