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

Systemtic Name: 2-[[5-(2-methylfuran-3-yl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-(2-methyl-3-furyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(2-methyl-3-furanyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-(2-methylfuran-3-yl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-(2-methyl-3-furyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4CCCCC4

InChI

InChI=1S/C22H26N4O2S/c1-17-19(11-15-28-17)21-23-24-22(26(21)14-10-18-8-4-2-5-9-18)29-16-20(27)25-12-6-3-7-13-25/h2,4-5,8-9,11,15H,3,6-7,10,12-14,16H2,1H3