2-[[4-methyl-5-[(2-methylquinolin-8-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-methyl-5-[(2-methylquinolin-8-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-methyl-5-[(2-methyl-8-quinolyl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-methyl-5-[(2-methyl-8-quinolinyl)oxymethyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-methyl-5-[(2-methylquinolin-8-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-methyl-5-[(2-methyl-8-quinolyl)oxymethyl]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OCC3=NN=C(N3C)SCC(=O)O)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC3=NN=C(N3C)SCC(=O)O)C=C1

InChI

InChI=1S/C16H16N4O3S/c1-10-6-7-11-4-3-5-12(15(11)17-10)23-8-13-18-19-16(20(13)2)24-9-14(21)22/h3-7H,8-9H2,1-2H3,(H,21,22)