2-(3,5-dimethylphenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(3,5-dimethylphenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(3,5-dimethylphenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(3,5-dimethylphenyl)-5-[2-(3-nitrophenoxy)ethylthio]-1,3,4-oxadiazole IUPAC Name: 2-(3,5-dimethylphenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(3,5-dimethylphenyl)-5-[2-(3-nitrophenoxy)ethylthio]-1,3,4-oxadiazole Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NN=C(O2)SCCOC3=CC=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NN=C(O2)SCCOC3=CC=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H17N3O4S/c1-12-8-13(2)10-14(9-12)17-19-20-18(25-17)26-7-6-24-16-5-3-4-15(11-16)21(22)23/h3-5,8-11H,6-7H2,1-2H3