5-butyl-5-methyl-4-[4-[2-(5-oxidanylidene-2H-1,2,4-thiadiazol-3-yl)phenyl]phenyl]pyrazole-3-carboxylic acid

Systemtic Name: 5-butyl-5-methyl-4-[4-[2-(5-oxidanylidene-2H-1,2,4-thiadiazol-3-yl)phenyl]phenyl]pyrazole-3-carboxylic acid Openeye Name: 5-butyl-5-methyl-4-[4-[2-(5-oxo-2H-1,2,4-thiadiazol-3-yl)phenyl]phenyl]pyrazole-3-carboxylic acid CAS Name: 5-butyl-5-methyl-4-[4-[2-(5-oxo-2H-1,2,4-thiadiazol-3-yl)phenyl]phenyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-butyl-5-methyl-4-[4-[2-(5-oxo-2H-1,2,4-thiadiazol-3-yl)phenyl]phenyl]pyrazole-3-carboxylic acid Traditional Name: 5-butyl-4-[4-[2-(5-keto-2H-1,2,4-thiadiazol-3-yl)phenyl]phenyl]-5-methyl-pyrazole-3-carboxylic acid Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=C(N=N1)C(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3C4=NC(=O)SN4)C

Isomeric SMILES

CCCCC1(C(=C(N=N1)C(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3C4=NC(=O)SN4)C

InChI

InChI=1S/C23H22N4O3S/c1-3-4-13-23(2)18(19(21(28)29)25-27-23)15-11-9-14(10-12-15)16-7-5-6-8-17(16)20-24-22(30)31-26-20/h5-12H,3-4,13H2,1-2H3,(H,28,29)(H,24,26,30)