ethyl 1-[4-[(5-bromanylthiophen-2-yl)methyl-methyl-carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[(5-bromanylthiophen-2-yl)methyl-methyl-carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[(5-bromo-2-thienyl)methyl-methyl-carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[(5-bromo-2-thiophenyl)methyl-methylamino]-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[(5-bromo-2-thienyl)methyl-methyl-carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N(C)CC3=CC=C(S3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N(C)CC3=CC=C(S3)Br)C

InChI

InChI=1S/C20H20BrN3O3S/c1-4-27-20(26)17-11-22-24(13(17)2)15-7-5-14(6-8-15)19(25)23(3)12-16-9-10-18(21)28-16/h5-11H,4,12H2,1-3H3