1-[(5-methylfuran-2-yl)methyl]-4-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidine

Systemtic Name: 1-[(5-methylfuran-2-yl)methyl]-4-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidine Openeye Name: 1-[(5-methyl-2-furyl)methyl]-4-[4-methyl-5-[2-(1-piperidyl)ethylsulfanyl]-1,2,4-triazol-3-yl]piperidine CAS Name: 1-[(5-methyl-2-furanyl)methyl]-4-[4-methyl-5-[2-(1-piperidinyl)ethylthio]-1,2,4-triazol-3-yl]piperidine IUPAC Name: 1-[(5-methylfuran-2-yl)methyl]-4-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidine Traditional Name: 1-[(5-methyl-2-furyl)methyl]-4-[4-methyl-5-(2-piperidinoethylthio)-1,2,4-triazol-3-yl]piperidine Formula: C21H33N5OS MolecularWeight: 403.58462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN2CCC(CC2)C3=NN=C(N3C)SCCN4CCCCC4

Isomeric SMILES

CC1=CC=C(O1)CN2CCC(CC2)C3=NN=C(N3C)SCCN4CCCCC4

InChI

InChI=1S/C21H33N5OS/c1-17-6-7-19(27-17)16-26-12-8-18(9-13-26)20-22-23-21(24(20)2)28-15-14-25-10-4-3-5-11-25/h6-7,18H,3-5,8-16H2,1-2H3