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

Systemtic Name: 2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoic acid CAS Name: 2-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]benzoic acid IUPAC Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 2-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]benzoic acid Formula: C16H13N3O2S2 MolecularWeight: 343.42332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H13N3O2S2/c20-14(21)13-9-5-4-6-11(13)10-22-16-19-18-15(23-16)17-12-7-2-1-3-8-12/h1-9H,10H2,(H,17,18)(H,20,21)