2-[[4-(furan-2-ylmethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-benzyl-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-(2-furanylmethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-benzyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-benzyl-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NN=C(N2CC3=CC=CO3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NN=C(N2CC3=CC=CO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2S/c26-20(24-11-5-2-6-12-24)16-28-21-23-22-19(14-17-8-3-1-4-9-17)25(21)15-18-10-7-13-27-18/h1,3-4,7-10,13H,2,5-6,11-12,14-16H2