3-propylsulfanyl-2H-1,2,4-benzothiadiazine-6-carboxylic acid

Systemtic Name: 3-propylsulfanyl-2H-1,2,4-benzothiadiazine-6-carboxylic acid Openeye Name: 3-propylsulfanyl-2H-1,2,4-benzothiadiazine-6-carboxylic acid CAS Name: 3-(propylthio)-2H-1,2,4-benzothiadiazine-6-carboxylic acid IUPAC Name: 3-propylsulfanyl-2H-1,2,4-benzothiadiazine-6-carboxylic acid Traditional Name: 3-(propylthio)-2H-1,2,4-benzothiadiazine-6-carboxylic acid Formula: C11H12N2O2S2 MolecularWeight: 268.35518

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C=CC(=C2)C(=O)O)SN1

Isomeric SMILES

CCCSC1=NC2=C(C=CC(=C2)C(=O)O)SN1

InChI

InChI=1S/C11H12N2O2S2/c1-2-5-16-11-12-8-6-7(10(14)15)3-4-9(8)17-13-11/h3-4,6H,2,5H2,1H3,(H,12,13)(H,14,15)