sodium 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: sodium 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: sodium 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: sodium 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: sodium 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: sodium 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C13H11ClN3NaO2S MolecularWeight: 331.75311

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)[O-])C2=CC=C(C=C2)Cl.[Na+]

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)[O-])C2=CC=C(C=C2)Cl.[Na+]

InChI

InChI=1S/C13H12ClN3O2S.Na/c1-2-7-17-12(9-3-5-10(14)6-4-9)15-16-13(17)20-8-11(18)19;/h2-6H,1,7-8H2,(H,18,19);/q;+1/p-1