methyl 2-[[1-[(4-bromanylpyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-[(4-bromanylpyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[1-[(4-bromo-1-pyrazolyl)methyl]-3-pyrazolyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H16BrN5O3S MolecularWeight: 438.29894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=NN(C=C2)CN3C=C(C=N3)Br)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=NN(C=C2)CN3C=C(C=N3)Br)C

InChI

InChI=1S/C16H16BrN5O3S/c1-9-10(2)26-15(13(9)16(24)25-3)19-14(23)12-4-5-21(20-12)8-22-7-11(17)6-18-22/h4-7H,8H2,1-3H3,(H,19,23)