2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one

Systemtic Name: 2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one Openeye Name: 2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-1-piperidyl)propan-1-one CAS Name: 2-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperidinyl)-1-propanone IUPAC Name: 2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one Traditional Name: 2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-methylpiperidino)propan-1-one Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C21H24N4O2S/c1-15-10-12-24(13-11-15)20(26)16(2)28-21-23-22-19(18-9-6-14-27-18)25(21)17-7-4-3-5-8-17/h3-9,14-16H,10-13H2,1-2H3