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

Systemtic Name: ethyl 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=NN3C4CC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=NN3C4CC4)C

InChI

InChI=1S/C18H19N5O2S/c1-3-25-17(24)16-11(2)13-6-4-5-7-14(13)19-15(16)10-26-18-20-21-22-23(18)12-8-9-12/h4-7,12H,3,8-10H2,1-2H3