2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole Openeye Name: 2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole CAS Name: 2-[3-(3,5-dimethylphenoxy)propylthio]-5-(3-nitrophenyl)-1,3,4-oxadiazole IUPAC Name: 2-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole Traditional Name: 2-[3-(3,5-dimethylphenoxy)propylthio]-5-(3-nitrophenyl)-1,3,4-oxadiazole Formula: C19H19N3O4S MolecularWeight: 385.43686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCSC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCSC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H19N3O4S/c1-13-9-14(2)11-17(10-13)25-7-4-8-27-19-21-20-18(26-19)15-5-3-6-16(12-15)22(23)24/h3,5-6,9-12H,4,7-8H2,1-2H3