2-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[2-[4-(4-bromophenyl)thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid CAS Name: 2-[2-[4-(4-bromophenyl)-2-thiazolyl]-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid IUPAC Name: 2-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid Traditional Name: 2-[1-[4-(4-bromophenyl)thiazol-2-yl]-5-keto-3-methyl-3-pyrazolin-4-yl]acetic acid Formula: C15H12BrN3O3S MolecularWeight: 394.24308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC(=CS2)C3=CC=C(C=C3)Br)CC(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC(=CS2)C3=CC=C(C=C3)Br)CC(=O)O

InChI

InChI=1S/C15H12BrN3O3S/c1-8-11(6-13(20)21)14(22)19(18-8)15-17-12(7-23-15)9-2-4-10(16)5-3-9/h2-5,7,18H,6H2,1H3,(H,20,21)