2-azanyl-4-butan-2-yl-5-[4-[2-(5-oxidanylidene-2H-1,2,4-thiadiazol-3-yl)phenyl]phenyl]pyridine-3-carboxylic acid

Systemtic Name: 2-azanyl-4-butan-2-yl-5-[4-[2-(5-oxidanylidene-2H-1,2,4-thiadiazol-3-yl)phenyl]phenyl]pyridine-3-carboxylic acid Openeye Name: 2-amino-5-[4-[2-(5-oxo-2H-1,2,4-thiadiazol-3-yl)phenyl]phenyl]-4-sec-butyl-pyridine-3-carboxylic acid CAS Name: 2-amino-4-butan-2-yl-5-[4-[2-(5-oxo-2H-1,2,4-thiadiazol-3-yl)phenyl]phenyl]-3-pyridinecarboxylic acid IUPAC Name: 2-amino-4-butan-2-yl-5-[4-[2-(5-oxo-2H-1,2,4-thiadiazol-3-yl)phenyl]phenyl]pyridine-3-carboxylic acid Traditional Name: 2-amino-5-[4-[2-(5-keto-2H-1,2,4-thiadiazol-3-yl)phenyl]phenyl]-4-sec-butyl-nicotinic acid Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C(=NC=C1C2=CC=C(C=C2)C3=CC=CC=C3C4=NC(=O)SN4)N)C(=O)O

Isomeric SMILES

CCC(C)C1=C(C(=NC=C1C2=CC=C(C=C2)C3=CC=CC=C3C4=NC(=O)SN4)N)C(=O)O

InChI

InChI=1S/C24H22N4O3S/c1-3-13(2)19-18(12-26-21(25)20(19)23(29)30)15-10-8-14(9-11-15)16-6-4-5-7-17(16)22-27-24(31)32-28-22/h4-13H,3H2,1-2H3,(H2,25,26)(H,29,30)(H,27,28,31)