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

Systemtic Name: ethyl 4-methyl-2-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[1-(o-tolyl)tetrazol-5-yl]sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[[1-(2-methylphenyl)-5-tetrazolyl]thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[[1-(o-tolyl)tetrazol-5-yl]thio]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=NN3C4=CC=CC=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=NN3C4=CC=CC=C4C)C

InChI

InChI=1S/C22H21N5O2S/c1-4-29-21(28)20-15(3)16-10-6-7-11-17(16)23-18(20)13-30-22-24-25-26-27(22)19-12-8-5-9-14(19)2/h5-12H,4,13H2,1-3H3