2-[[5-methyl-6-(1-methyl-2-oxidanylidene-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-methyl-6-(1-methyl-2-oxidanylidene-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-methyl-6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-methyl-6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]thio]acetic acid IUPAC Name: 2-[[5-methyl-6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[6-(2-keto-1-methyl-3,4-dihydroquinolin-6-yl)-5-methyl-1,2,4-triazin-3-yl]thio]acetic acid Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NC(=N1)SCC(=O)O)C2=CC3=C(C=C2)N(C(=O)CC3)C

Isomeric SMILES

CC1=C(N=NC(=N1)SCC(=O)O)C2=CC3=C(C=C2)N(C(=O)CC3)C

InChI

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