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

Systemtic Name: 2-[4-[(3-propylsulfanyl-1,2,4-benzothiadiazin-4-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(3-propylsulfanyl-1,2,4-benzothiadiazin-4-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[3-(propylthio)-1,2,4-benzothiadiazin-4-yl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3-propylsulfanyl-1,2,4-benzothiadiazin-4-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[3-(propylthio)-1,2,4-benzothiadiazin-4-yl]methyl]phenyl]benzoic acid Formula: C24H22N2O2S2 MolecularWeight: 434.57368

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NSC2=CC=CC=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCSC1=NSC2=CC=CC=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C24H22N2O2S2/c1-2-15-29-24-25-30-22-10-6-5-9-21(22)26(24)16-17-11-13-18(14-12-17)19-7-3-4-8-20(19)23(27)28/h3-14H,2,15-16H2,1H3,(H,27,28)