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

Systemtic Name: ethyl 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=NN3C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=NN3C)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5O2S/c1-3-28-20(27)19-17(13-29-21-23-24-25-26(21)2)22-16-12-8-7-11-15(16)18(19)14-9-5-4-6-10-14/h4-12H,3,13H2,1-2H3