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

Systemtic Name: ethyl 2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(1-tert-butyl-5-tetrazolyl)thio]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(1-tert-butyltetrazol-5-yl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O2S/c1-6-26-17(25)16-12(2)13-9-7-8-10-14(13)20-15(16)11-27-18-21-22-23-24(18)19(3,4)5/h7-10H,6,11H2,1-5H3