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

Systemtic Name: 2-[(2,3-dimethylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-[(2,3-dimethylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-[(2,3-dimethylphenoxy)methyl]-5-[(4-nitrophenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-[(2,3-dimethylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-[(2,3-dimethylphenoxy)methyl]-5-[(4-nitrobenzyl)thio]-1,3,4-oxadiazole Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC2=NN=C(O2)SCC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC2=NN=C(O2)SCC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

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