2-[[4-(3-chloranyl-4-cyano-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(3-chloranyl-4-cyano-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(3-chloro-4-cyano-phenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(3-chloro-4-cyanophenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(3-chloro-4-cyanophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(3-chloro-4-cyano-phenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H7ClN4O2S MolecularWeight: 294.71688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C=NN=C2SCC(=O)O)Cl)C#N

Isomeric SMILES

C1=CC(=C(C=C1N2C=NN=C2SCC(=O)O)Cl)C#N

InChI

InChI=1S/C11H7ClN4O2S/c12-9-3-8(2-1-7(9)4-13)16-6-14-15-11(16)19-5-10(17)18/h1-3,6H,5H2,(H,17,18)