3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-phenyl-1H-1,2,4-triazole

Systemtic Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-phenyl-1H-1,2,4-triazole CAS Name: 3-[[(4R)-1,3-dioxan-4-yl]methylthio]-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-[[(4R)-1,3-dioxan-4-yl]methylthio]-5-phenyl-1H-1,2,4-triazole Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

C1COCOC1CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

C1COCO[C@H]1CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C13H15N3O2S/c1-2-4-10(5-3-1)12-14-13(16-15-12)19-8-11-6-7-17-9-18-11/h1-5,11H,6-9H2,(H,14,15,16)/t11-/m1/s1