2-[[4,5-bis(4-chlorophenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4,5-bis(4-chlorophenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4,5-bis(4-chlorophenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetate CAS Name: 2-[[4,5-bis(4-chlorophenyl)-1H-1,2,4-triazol-4-ium-3-yl]thio]acetate IUPAC Name: 2-[[4,5-bis(4-chlorophenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetate Traditional Name: 2-[[4,5-bis(4-chlorophenyl)-1H-1,2,4-triazol-4-ium-3-yl]thio]acetate Formula: C16H11Cl2N3O2S MolecularWeight: 380.24844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=[N+](C(=NN2)SCC(=O)[O-])C3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=[N+](C(=NN2)SCC(=O)[O-])C3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H11Cl2N3O2S/c17-11-3-1-10(2-4-11)15-19-20-16(24-9-14(22)23)21(15)13-7-5-12(18)6-8-13/h1-8H,9H2,(H,22,23)