2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenyl-ethanone

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenyl-ethanone Openeye Name: 2-[[4-(2-furylmethyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-2-phenyl-ethanone CAS Name: 2-[[4-(2-furanylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)-2-phenylethanone IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone Traditional Name: 2-[[4-(2-furfuryl)-5-isopropyl-1,2,4-triazol-3-yl]thio]-1-morpholino-2-phenyl-ethanone Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1CC2=CC=CO2)SC(C3=CC=CC=C3)C(=O)N4CCOCC4

Isomeric SMILES

CC(C)C1=NN=C(N1CC2=CC=CO2)SC(C3=CC=CC=C3)C(=O)N4CCOCC4

InChI

InChI=1S/C22H26N4O3S/c1-16(2)20-23-24-22(26(20)15-18-9-6-12-29-18)30-19(17-7-4-3-5-8-17)21(27)25-10-13-28-14-11-25/h3-9,12,16,19H,10-11,13-15H2,1-2H3