ethyl 5-azanyl-3-(bromomethylsulfanyl)-1-(phenylcarbonyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-3-(bromomethylsulfanyl)-1-(phenylcarbonyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-benzoyl-3-(bromomethylsulfanyl)pyrazole-4-carboxylate CAS Name: 5-amino-1-benzoyl-3-(bromomethylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-benzoyl-3-(bromomethylsulfanyl)pyrazole-4-carboxylate Traditional Name: 5-amino-1-benzoyl-3-(bromomethylthio)pyrazole-4-carboxylic acid ethyl ester Formula: C14H14BrN3O3S MolecularWeight: 384.24826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SCBr)C(=O)C2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SCBr)C(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C14H14BrN3O3S/c1-2-21-14(20)10-11(16)18(17-12(10)22-8-15)13(19)9-6-4-3-5-7-9/h3-7H,2,8,16H2,1H3