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

Systemtic Name: methyl 2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 2-[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[[4-(2-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]furan-3-carboxylic acid methyl ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=C(C=CO3)C(=O)OC)N4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=C(C=CO3)C(=O)OC)N4CCOCC4

InChI

InChI=1S/C20H22N4O4S/c1-14-5-3-4-6-16(14)24-19(23-8-11-27-12-9-23)21-22-20(24)29-13-17-15(7-10-28-17)18(25)26-2/h3-7,10H,8-9,11-13H2,1-2H3