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

Systemtic Name: ethyl 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: ethyl 2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate CAS Name: 2-[[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-1H-quinoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 4-keto-2-[[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinoline-6-carboxylic acid ethyl ester Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)NC(=CC2=O)CSC3=NN=C(N3C)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)NC(=CC2=O)CSC3=NN=C(N3C)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H22N4O3S/c1-4-30-22(29)16-9-10-19-18(11-16)20(28)12-17(24-19)13-31-23-26-25-21(27(23)3)15-7-5-14(2)6-8-15/h5-12H,4,13H2,1-3H3,(H,24,28)