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

Systemtic Name: ethyl 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: ethyl 4-oxo-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinoline-6-carboxylate CAS Name: 2-[[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-1H-quinoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 4-keto-2-[[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinoline-6-carboxylic acid ethyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)NC(=CC2=O)CSC3=NNC(=N3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)NC(=CC2=O)CSC3=NNC(=N3)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H20N4O3S/c1-3-29-21(28)15-8-9-18-17(10-15)19(27)11-16(23-18)12-30-22-24-20(25-26-22)14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3,(H,23,27)(H,24,25,26)