3-[bis[(5-bromanylthiophen-2-yl)methyl]amino]-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-[bis[(5-bromanylthiophen-2-yl)methyl]amino]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-[bis[(5-bromo-2-thienyl)methyl]amino]-1H-pyrazole-5-carboxylic acid CAS Name: 3-[bis[(5-bromo-2-thiophenyl)methyl]amino]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-[bis[(5-bromothiophen-2-yl)methyl]amino]-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[bis[(5-bromo-2-thienyl)methyl]amino]-1H-pyrazole-5-carboxylic acid Formula: C14H11Br2N3O2S2 MolecularWeight: 477.19404

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Br)CN(CC2=CC=C(S2)Br)C3=NNC(=C3)C(=O)O

Isomeric SMILES

C1=C(SC(=C1)Br)CN(CC2=CC=C(S2)Br)C3=NNC(=C3)C(=O)O

InChI

InChI=1S/C14H11Br2N3O2S2/c15-11-3-1-8(22-11)6-19(7-9-2-4-12(16)23-9)13-5-10(14(20)21)17-18-13/h1-5H,6-7H2,(H,17,18)(H,20,21)