ethyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinoline-6-carboxylate

Systemtic Name: ethyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: ethyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate CAS Name: 2-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-1H-quinoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 4-keto-2-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinoline-6-carboxylic acid ethyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)NC(=CC2=O)CSC3=NNC(=N3)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)NC(=CC2=O)CSC3=NNC(=N3)C

InChI

InChI=1S/C16H16N4O3S/c1-3-23-15(22)10-4-5-13-12(6-10)14(21)7-11(18-13)8-24-16-17-9(2)19-20-16/h4-7H,3,8H2,1-2H3,(H,18,21)(H,17,19,20)