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

Systemtic Name: ethyl 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-4-phenyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]-4-phenyl-quinoline-3-carboxylic acid ethyl ester Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=NN3C4CC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=NN3C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C23H21N5O2S/c1-2-30-22(29)21-19(14-31-23-25-26-27-28(23)16-12-13-16)24-18-11-7-6-10-17(18)20(21)15-8-4-3-5-9-15/h3-11,16H,2,12-14H2,1H3