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

Systemtic Name: methyl 5-[(4-bromophenyl)carbamothioylamino]-1H-pyrazole-4-carboxylate Openeye Name: methyl 5-[(4-bromophenyl)carbamothioylamino]-1H-pyrazole-4-carboxylate CAS Name: 5-[[(4-bromoanilino)-sulfanylidenemethyl]amino]-1H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-[(4-bromophenyl)carbamothioylamino]-1H-pyrazole-4-carboxylate Traditional Name: 5-[(4-bromophenyl)thiocarbamoylamino]-1H-pyrazole-4-carboxylic acid methyl ester Formula: C12H11BrN4O2S MolecularWeight: 355.21034

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NN=C1)NC(=S)NC2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1=C(NN=C1)NC(=S)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C12H11BrN4O2S/c1-19-11(18)9-6-14-17-10(9)16-12(20)15-8-4-2-7(13)3-5-8/h2-6H,1H3,(H3,14,15,16,17,20)