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

Systemtic Name: methyl 2-[[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[1-(2-furylmethyl)tetrazol-5-yl]sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[[1-(2-furanylmethyl)-5-tetrazolyl]thio]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[[1-(2-furfuryl)tetrazol-5-yl]thio]methyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C24H19N5O3S MolecularWeight: 457.50436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=NN3CC4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=NN3CC4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C24H19N5O3S/c1-31-23(30)22-20(15-33-24-26-27-28-29(24)14-17-10-7-13-32-17)25-19-12-6-5-11-18(19)21(22)16-8-3-2-4-9-16/h2-13H,14-15H2,1H3