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3-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylic acid

3-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylic acid

Systemtic Name:3-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylic acid
Openeye Name:3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluoro-benzothiophene-2-carboxylic acid
CAS Name:3-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid
IUPAC Name:3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluoro-1-benzothiophene-2-carboxylic acid
Traditional Name:3-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-fluoro-benzothiophene-2-carboxylic acid
Formula: C12H8FN3O2S3
MolecularWeight: 341.404223
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC(=C2CSC3=NN=C(S3)N)C(=O)O)F


Isomeric SMILES

C1=CC(=C2C(=C1)SC(=C2CSC3=NN=C(S3)N)C(=O)O)F


InChI

InChI=1S/C12H8FN3O2S3/c13-6-2-1-3-7-8(6)5(9(20-7)10(17)18)4-19-12-16-15-11(14)21-12/h1-3H,4H2,(H2,14,15)(H,17,18)


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