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

Systemtic Name: ethyl 2-[[5-(3-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: ethyl 2-[[5-(3-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate CAS Name: 2-[[[5-(3-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-1H-quinoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(3-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 2-[[[5-(3-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-4-keto-1H-quinoline-6-carboxylic acid ethyl ester Formula: C22H19FN4O3S MolecularWeight: 438.474663

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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(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C22H19FN4O3S/c1-3-30-21(29)14-7-8-18-17(10-14)19(28)11-16(24-18)12-31-22-26-25-20(27(22)2)13-5-4-6-15(23)9-13/h4-11H,3,12H2,1-2H3,(H,24,28)