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

Systemtic Name: methyl 2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[5-cyclopropyl-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[[5-cyclopropyl-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[[5-cyclopropyl-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]methyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C28H24N4O3S MolecularWeight: 496.58016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3CC4=CC=CO4)C5CC5)C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3CC4=CC=CO4)C5CC5)C6=CC=CC=C6

InChI

InChI=1S/C28H24N4O3S/c1-34-27(33)25-23(29-22-12-6-5-11-21(22)24(25)18-8-3-2-4-9-18)17-36-28-31-30-26(19-13-14-19)32(28)16-20-10-7-15-35-20/h2-12,15,19H,13-14,16-17H2,1H3