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

Systemtic Name: methyl 2-[[1-(2-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[1-(2-methoxyphenyl)-5-tetrazolyl]thio]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[[1-(2-methoxyphenyl)tetrazol-5-yl]thio]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=NN3C4=CC=CC=C4OC)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=NN3C4=CC=CC=C4OC)C(=O)OC

InChI

InChI=1S/C21H19N5O3S/c1-13-14-8-4-5-9-15(14)22-16(19(13)20(27)29-3)12-30-21-23-24-25-26(21)17-10-6-7-11-18(17)28-2/h4-11H,12H2,1-3H3