2-chloranyl-5-(3-quinolin-2-yl-5-sulfanidyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: 2-chloranyl-5-(3-quinolin-2-yl-5-sulfanidyl-1,2,4-triazol-4-yl)benzoate Openeye Name: 2-chloro-5-[3-(2-quinolyl)-5-sulfido-1,2,4-triazol-4-yl]benzoate CAS Name: 2-chloro-5-[3-(2-quinolinyl)-5-sulfido-1,2,4-triazol-4-yl]benzoate IUPAC Name: 2-chloro-5-(3-quinolin-2-yl-5-sulfido-1,2,4-triazol-4-yl)benzoate Traditional Name: 2-chloro-5-[3-(2-quinolyl)-5-sulfido-1,2,4-triazol-4-yl]benzoate Formula: C18H9ClN4O2S-2 MolecularWeight: 380.80766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C3=NN=C(N3C4=CC(=C(C=C4)Cl)C(=O)[O-])[S-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C3=NN=C(N3C4=CC(=C(C=C4)Cl)C(=O)[O-])[S-]

InChI

InChI=1S/C18H11ClN4O2S/c19-13-7-6-11(9-12(13)17(24)25)23-16(21-22-18(23)26)15-8-5-10-3-1-2-4-14(10)20-15/h1-9H,(H,22,26)(H,24,25)/p-2