2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[[4-methyl-5-(6-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-(6-quinolinyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-methyl-5-(6-quinolyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C14H11N4O2S- MolecularWeight: 299.32774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)[O-])C2=CC3=C(C=C2)N=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)[O-])C2=CC3=C(C=C2)N=CC=C3

InChI

InChI=1S/C14H12N4O2S/c1-18-13(16-17-14(18)21-8-12(19)20)10-4-5-11-9(7-10)3-2-6-15-11/h2-7H,8H2,1H3,(H,19,20)/p-1