4-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-butan-1-one

Systemtic Name: 4-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-butan-1-one Openeye Name: 4-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-butan-1-one CAS Name: 4-[[5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)-1-butanone IUPAC Name: 4-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylbutan-1-one Traditional Name: 4-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-morpholino-butan-1-one Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)N4CCOCC4

InChI

InChI=1S/C21H24N4O3S/c1-16-18(9-12-28-16)20-22-23-21(25(20)17-6-3-2-4-7-17)29-15-5-8-19(26)24-10-13-27-14-11-24/h2-4,6-7,9,12H,5,8,10-11,13-15H2,1H3