5-tert-butyl-3-[[(2R)-oxan-2-yl]methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-tert-butyl-3-[[(2R)-oxan-2-yl]methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-tert-butyl-3-[[(2R)-tetrahydropyran-2-yl]methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-tert-butyl-3-[[(2R)-2-oxanyl]methylthio]-1H-1,2,4-triazole IUPAC Name: 5-tert-butyl-3-[[(2R)-oxan-2-yl]methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-tert-butyl-3-[[(2R)-tetrahydropyran-2-yl]methylthio]-1H-1,2,4-triazole Formula: C12H21N3OS MolecularWeight: 255.37964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC2CCCCO2

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SC[C@H]2CCCCO2

InChI

InChI=1S/C12H21N3OS/c1-12(2,3)10-13-11(15-14-10)17-8-9-6-4-5-7-16-9/h9H,4-8H2,1-3H3,(H,13,14,15)/t9-/m1/s1