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

Systemtic Name: 3-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]benzoic acid IUPAC Name: 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]benzoic acid Formula: C10H9N3O2S2 MolecularWeight: 267.32736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NN=C(S2)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NN=C(S2)N)C(=O)O

InChI

InChI=1S/C10H9N3O2S2/c11-9-12-13-10(17-9)16-5-6-2-1-3-7(4-6)8(14)15/h1-4H,5H2,(H2,11,12)(H,14,15)