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

Systemtic Name: ethyl 4-methyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 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=NN3C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=NN3C4=CC=CC=C4)C

InChI

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