methyl 4-[[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]amino]-2,5-dihydrothiophene-3-carboxylate

Systemtic Name: methyl 4-[[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]amino]-2,5-dihydrothiophene-3-carboxylate Openeye Name: methyl 4-[3-(4-bromo-1-methyl-pyrazol-3-yl)anilino]-2,5-dihydrothiophene-3-carboxylate CAS Name: 4-[3-(4-bromo-1-methyl-3-pyrazolyl)anilino]-2,5-dihydrothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-2,5-dihydrothiophene-3-carboxylate Traditional Name: 4-[3-(4-bromo-1-methyl-pyrazol-3-yl)anilino]-2,5-dihydrothiophene-3-carboxylic acid methyl ester Formula: C16H16BrN3O2S MolecularWeight: 394.28614

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)NC3=C(CSC3)C(=O)OC)Br

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)NC3=C(CSC3)C(=O)OC)Br

InChI

InChI=1S/C16H16BrN3O2S/c1-20-7-13(17)15(19-20)10-4-3-5-11(6-10)18-14-9-23-8-12(14)16(21)22-2/h3-7,18H,8-9H2,1-2H3