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

Systemtic Name: methyl 4-methyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(1-phenyl-5-tetrazolyl)thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[(1-phenyltetrazol-5-yl)thio]methyl]quinoline-3-carboxylic acid methyl ester Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O2S/c1-13-15-10-6-7-11-16(15)21-17(18(13)19(26)27-2)12-28-20-22-23-24-25(20)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3