ethyl 5-[(4-bromophenyl)carbamothioylamino]-1-ethyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(4-bromophenyl)carbamothioylamino]-1-ethyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-bromophenyl)carbamothioylamino]-1-ethyl-pyrazole-4-carboxylate CAS Name: 5-[[(4-bromoanilino)-sulfanylidenemethyl]amino]-1-ethyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-bromophenyl)carbamothioylamino]-1-ethylpyrazole-4-carboxylate Traditional Name: 5-[(4-bromophenyl)thiocarbamoylamino]-1-ethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C15H17BrN4O2S MolecularWeight: 397.29008

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCN1C(=C(C=N1)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H17BrN4O2S/c1-3-20-13(12(9-17-20)14(21)22-4-2)19-15(23)18-11-7-5-10(16)6-8-11/h5-9H,3-4H2,1-2H3,(H2,18,19,23)