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

Systemtic Name: ethyl 4-methyl-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(1-methyl-5-tetrazolyl)thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[(1-methyltetrazol-5-yl)thio]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O2S/c1-4-23-15(22)14-10(2)11-7-5-6-8-12(11)17-13(14)9-24-16-18-19-20-21(16)3/h5-8H,4,9H2,1-3H3