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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CSC2=NN=C(N2CC3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CSC2=NN=C(N2CC3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C21H24N4O4S/c1-2-28-19(26)17-8-11-29-18(17)15-30-21-23-22-20(24-9-12-27-13-10-24)25(21)14-16-6-4-3-5-7-16/h3-8,11H,2,9-10,12-15H2,1H3