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

Systemtic Name: methyl 2-[[1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-3-pyrazolyl]-oxomethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H18BrN5O3S MolecularWeight: 452.32552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2=NN(C=C2)CN3C(=C(C(=N3)C)Br)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2=NN(C=C2)CN3C(=C(C(=N3)C)Br)C)C(=O)OC

InChI

InChI=1S/C17H18BrN5O3S/c1-9-7-12(17(25)26-4)16(27-9)19-15(24)13-5-6-22(21-13)8-23-11(3)14(18)10(2)20-23/h5-7H,8H2,1-4H3,(H,19,24)