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

Systemtic Name: methyl 2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[[4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[[4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]methyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C25H20N4O3S MolecularWeight: 456.5163

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=CN3CC4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=CN3CC4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C25H20N4O3S/c1-31-24(30)23-21(15-33-25-28-26-16-29(25)14-18-10-7-13-32-18)27-20-12-6-5-11-19(20)22(23)17-8-3-2-4-9-17/h2-13,16H,14-15H2,1H3