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

Systemtic Name: 4-[4-methyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-1-phenethyl-piperidine Openeye Name: 4-[4-methyl-5-(tetrahydrofuran-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-1-phenethyl-piperidine CAS Name: 4-[4-methyl-5-(2-oxolanylmethylthio)-1,2,4-triazol-3-yl]-1-phenethylpiperidine IUPAC Name: 4-[4-methyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-1-phenethylpiperidine Traditional Name: 4-[4-methyl-5-(tetrahydrofurfurylthio)-1,2,4-triazol-3-yl]-1-phenethyl-piperidine Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2CCCO2)C3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2CCCO2)C3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H30N4OS/c1-24-20(22-23-21(24)27-16-19-8-5-15-26-19)18-10-13-25(14-11-18)12-9-17-6-3-2-4-7-17/h2-4,6-7,18-19H,5,8-16H2,1H3