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

Systemtic Name: methyl 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3C)C4=CC=CO4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3C)C4=CC=CO4)C(=O)OC

InChI

InChI=1S/C20H18N4O3S/c1-12-13-7-4-5-8-14(13)21-15(17(12)19(25)26-3)11-28-20-23-22-18(24(20)2)16-9-6-10-27-16/h4-10H,11H2,1-3H3