2-[4-[(3-butyl-1,2,4-benzothiadiazin-4-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(3-butyl-1,2,4-benzothiadiazin-4-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(3-butyl-1,2,4-benzothiadiazin-4-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(3-butyl-1,2,4-benzothiadiazin-4-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3-butyl-1,2,4-benzothiadiazin-4-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-butyl-1,2,4-benzothiadiazin-4-yl)methyl]phenyl]benzoic acid Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NSC2=CC=CC=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCC1=NSC2=CC=CC=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C25H24N2O2S/c1-2-3-12-24-26-30-23-11-7-6-10-22(23)27(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25(28)29/h4-11,13-16H,2-3,12,17H2,1H3,(H,28,29)