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

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[[4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[4-(2-furanylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[4-(2-furfuryl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylpiperidino)ethanone Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=NC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=NC=C4

InChI

InChI=1S/C20H23N5O2S/c1-15-6-10-24(11-7-15)18(26)14-28-20-23-22-19(16-4-8-21-9-5-16)25(20)13-17-3-2-12-27-17/h2-5,8-9,12,15H,6-7,10-11,13-14H2,1H3