2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole Openeye Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole CAS Name: 2-[[(4R)-1,3-dioxan-4-yl]methylthio]-5-(3-nitrophenyl)-1,3,4-oxadiazole IUPAC Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole Traditional Name: 2-[[(4R)-1,3-dioxan-4-yl]methylthio]-5-(3-nitrophenyl)-1,3,4-oxadiazole Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

C1COCOC1CSC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCO[C@H]1CSC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5S/c17-16(18)10-3-1-2-9(6-10)12-14-15-13(21-12)22-7-11-4-5-19-8-20-11/h1-3,6,11H,4-5,7-8H2/t11-/m1/s1