2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-5-nitro-benzonitrile CAS Name: 2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]-5-nitro-benzonitrile Formula: C18H14N4O4S MolecularWeight: 382.39316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H14N4O4S/c1-11-3-4-12(2)15(7-11)25-10-17-20-21-18(26-17)27-16-6-5-14(22(23)24)8-13(16)9-19/h3-8H,10H2,1-2H3