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

Systemtic Name: ethyl 2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[5-cyclopropyl-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[5-cyclopropyl-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[[5-cyclopropyl-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O3S/c1-3-30-23(29)21-15(2)18-8-4-5-9-19(18)25-20(21)14-32-24-27-26-22(16-10-11-16)28(24)13-17-7-6-12-31-17/h4-9,12,16H,3,10-11,13-14H2,1-2H3