ethyl 3-azanyl-1-(4-bromophenyl)carbonyl-5-methylsulfanyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-azanyl-1-(4-bromophenyl)carbonyl-5-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-amino-1-(4-bromobenzoyl)-5-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 3-amino-1-[(4-bromophenyl)-oxomethyl]-5-(methylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-1-(4-bromobenzoyl)-5-methylsulfanylpyrazole-4-carboxylate Traditional Name: 3-amino-1-(4-bromobenzoyl)-5-(methylthio)pyrazole-4-carboxylic acid ethyl ester Formula: C14H14BrN3O3S MolecularWeight: 384.24826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1N)C(=O)C2=CC=C(C=C2)Br)SC

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1N)C(=O)C2=CC=C(C=C2)Br)SC

InChI

InChI=1S/C14H14BrN3O3S/c1-3-21-14(20)10-11(16)17-18(13(10)22-2)12(19)8-4-6-9(15)7-5-8/h4-7H,3H2,1-2H3,(H2,16,17)