3-(3-methylbutyl)-5-[[4-(2-methylphenyl)sulfanylpiperidin-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(3-methylbutyl)-5-[[4-(2-methylphenyl)sulfanylpiperidin-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-isopentyl-5-[[4-(o-tolylsulfanyl)-1-piperidyl]methyl]-1,2,4-oxadiazole CAS Name: 3-(3-methylbutyl)-5-[[4-[(2-methylphenyl)thio]-1-piperidinyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-methylbutyl)-5-[[4-(2-methylphenyl)sulfanylpiperidin-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-isoamyl-5-[[4-(o-tolylthio)piperidino]methyl]-1,2,4-oxadiazole Formula: C20H29N3OS MolecularWeight: 359.52876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2CCN(CC2)CC3=NC(=NO3)CCC(C)C

Isomeric SMILES

CC1=CC=CC=C1SC2CCN(CC2)CC3=NC(=NO3)CCC(C)C

InChI

InChI=1S/C20H29N3OS/c1-15(2)8-9-19-21-20(24-22-19)14-23-12-10-17(11-13-23)25-18-7-5-4-6-16(18)3/h4-7,15,17H,8-14H2,1-3H3