methyl 5-[[4-[(2-bromophenyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(2-bromophenyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(2-bromophenyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[(2-bromoanilino)-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(2-bromophenyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(2-bromophenyl)thiocarbamoylamino]pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C17H15BrN4O3S MolecularWeight: 435.295

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2C=C(C=N2)NC(=S)NC3=CC=CC=C3Br

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2C=C(C=N2)NC(=S)NC3=CC=CC=C3Br

InChI

InChI=1S/C17H15BrN4O3S/c1-24-16(23)15-7-6-12(25-15)10-22-9-11(8-19-22)20-17(26)21-14-5-3-2-4-13(14)18/h2-9H,10H2,1H3,(H2,20,21,26)