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

Systemtic Name: methyl 2-methyl-5-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[[4-(2-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-methyl-5-[[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]furan-3-carboxylic acid methyl ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC(=C(O3)C)C(=O)OC)N4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC(=C(O3)C)C(=O)OC)N4CCOCC4

InChI

InChI=1S/C21H24N4O4S/c1-14-6-4-5-7-18(14)25-20(24-8-10-28-11-9-24)22-23-21(25)30-13-16-12-17(15(2)29-16)19(26)27-3/h4-7,12H,8-11,13H2,1-3H3