3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[(4R)-1,3-dioxan-4-yl]methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[(4R)-1,3-dioxan-4-yl]methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

C1COCOC1CSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

C1COCO[C@H]1CSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C15H19N3O3S/c19-14-16-17-15(22-10-13-7-9-20-11-21-13)18(14)8-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,16,19)/t13-/m1/s1