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

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-5-propan-2-yl-1,3,4-oxadiazole Openeye Name: 2-isopropyl-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-[(3-nitrophenyl)methylthio]-5-propan-2-yl-1,3,4-oxadiazole IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-5-propan-2-yl-1,3,4-oxadiazole Traditional Name: 2-isopropyl-5-[(3-nitrobenzyl)thio]-1,3,4-oxadiazole Formula: C12H13N3O3S MolecularWeight: 279.31492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(O1)SCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NN=C(O1)SCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O3S/c1-8(2)11-13-14-12(18-11)19-7-9-4-3-5-10(6-9)15(16)17/h3-6,8H,7H2,1-2H3