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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

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