2-[[5-(2-methylfuran-3-yl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4CCOCC4

InChI

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