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

Systemtic Name: methyl 2-[[1-(4-hydroxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[1-(4-hydroxyphenyl)-5-tetrazolyl]thio]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[[1-(4-hydroxyphenyl)tetrazol-5-yl]thio]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=NN3C4=CC=C(C=C4)O)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=NN3C4=CC=C(C=C4)O)C(=O)OC

InChI

InChI=1S/C20H17N5O3S/c1-12-15-5-3-4-6-16(15)21-17(18(12)19(27)28-2)11-29-20-22-23-24-25(20)13-7-9-14(26)10-8-13/h3-10,26H,11H2,1-2H3