4-[4-methyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-1-[(E)-3-phenylprop-2-enyl]piperidine

Systemtic Name: 4-[4-methyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-1-[(E)-3-phenylprop-2-enyl]piperidine Openeye Name: 1-[(E)-cinnamyl]-4-[4-methyl-5-(tetrahydrofuran-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidine CAS Name: 4-[4-methyl-5-(2-oxolanylmethylthio)-1,2,4-triazol-3-yl]-1-[(E)-3-phenylprop-2-enyl]piperidine IUPAC Name: 4-[4-methyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-1-[(E)-3-phenylprop-2-enyl]piperidine Traditional Name: 1-[(E)-cinnamyl]-4-[4-methyl-5-(tetrahydrofurfurylthio)-1,2,4-triazol-3-yl]piperidine Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2CCCO2)C3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2CCCO2)C3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H30N4OS/c1-25-21(23-24-22(25)28-17-20-10-6-16-27-20)19-11-14-26(15-12-19)13-5-9-18-7-3-2-4-8-18/h2-5,7-9,19-20H,6,10-17H2,1H3/b9-5+