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

Systemtic Name: ethyl 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: ethyl 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate CAS Name: 2-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-1H-quinoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 2-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-4-keto-1H-quinoline-6-carboxylic acid ethyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)NC(=CC2=O)CSC3=NN=C(N3C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)NC(=CC2=O)CSC3=NN=C(N3C)C

InChI

InChI=1S/C17H18N4O3S/c1-4-24-16(23)11-5-6-14-13(7-11)15(22)8-12(18-14)9-25-17-20-19-10(2)21(17)3/h5-8H,4,9H2,1-3H3,(H,18,22)