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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=N1)SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C4=CC=CC=C4

InChI

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