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

Systemtic Name: 4-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]benzoate IUPAC Name: 4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]benzoate Formula: C16H12N3O2S2- MolecularWeight: 342.41538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)[O-]

InChI

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