ethyl 4-methyl-2-[[1-(2-methylpropyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[[1-(2-methylpropyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 2-[(1-isobutyltetrazol-5-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 4-methyl-2-[[[1-(2-methylpropyl)-5-tetrazolyl]thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 2-[[(1-isobutyltetrazol-5-yl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=NN3CC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=NN3CC(C)C)C

InChI

InChI=1S/C19H23N5O2S/c1-5-26-18(25)17-13(4)14-8-6-7-9-15(14)20-16(17)11-27-19-21-22-23-24(19)10-12(2)3/h6-9,12H,5,10-11H2,1-4H3