[4-[(2-bromophenyl)carbamothioylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[(2-bromophenyl)carbamothioylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[(2-bromophenyl)carbamothioylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[(2-bromoanilino)-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-[(2-bromophenyl)carbamothioylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[(2-bromophenyl)thiocarbamoylamino]pyrazol-1-yl]methyl ester Formula: C16H19BrN4O2S MolecularWeight: 411.31666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=S)NC2=CC=CC=C2Br

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=S)NC2=CC=CC=C2Br

InChI

InChI=1S/C16H19BrN4O2S/c1-16(2,3)14(22)23-10-21-9-11(8-18-21)19-15(24)20-13-7-5-4-6-12(13)17/h4-9H,10H2,1-3H3,(H2,19,20,24)