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

Systemtic Name: ethyl 4-methyl-2-[[1-(3-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[1-(m-tolyl)tetrazol-5-yl]sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[[1-(3-methylphenyl)-5-tetrazolyl]thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[[1-(m-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(=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=NN3C4=CC=CC(=C4)C)C

InChI

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