3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzothiophene-2-carboxylic acid CAS Name: 3-[(1,3,4-thiadiazol-2-ylthio)methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[(1,3,4-thiadiazol-2-ylthio)methyl]benzothiophene-2-carboxylic acid Formula: C12H8N2O2S3 MolecularWeight: 308.39912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)CSC3=NN=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)CSC3=NN=CS3

InChI

InChI=1S/C12H8N2O2S3/c15-11(16)10-8(5-17-12-14-13-6-18-12)7-3-1-2-4-9(7)19-10/h1-4,6H,5H2,(H,15,16)