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

Systemtic Name: 2-[(4-azanyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-(2-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(2-quinolinyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[(4-amino-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(2-quinolyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C13H10N5O2S- MolecularWeight: 300.3158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C3=NN=C(N3N)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C3=NN=C(N3N)SCC(=O)[O-]

InChI

InChI=1S/C13H11N5O2S/c14-18-12(16-17-13(18)21-7-11(19)20)10-6-5-8-3-1-2-4-9(8)15-10/h1-6H,7,14H2,(H,19,20)/p-1