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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NN=C(N2CC3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NN=C(N2CC3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C20H22N4O4S/c1-26-18(25)17-8-7-16(28-17)14-29-20-22-21-19(23-9-11-27-12-10-23)24(20)13-15-5-3-2-4-6-15/h2-8H,9-14H2,1H3