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

Systemtic Name: ethyl 2-[[4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: ethyl 2-[(5-isobutyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate CAS Name: 2-[[[4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-1H-quinoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 2-[[(5-isobutyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-keto-1H-quinoline-6-carboxylic acid ethyl ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3S/c1-5-27-19(26)13-6-7-16-15(9-13)17(25)10-14(21-16)11-28-20-23-22-18(24(20)4)8-12(2)3/h6-7,9-10,12H,5,8,11H2,1-4H3,(H,21,25)