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

Systemtic Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-5-nitro-benzonitrile CAS Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]-5-nitro-benzonitrile Formula: C17H12N4O3S MolecularWeight: 352.36718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(O2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(O2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C17H12N4O3S/c1-10-3-4-12(7-11(10)2)16-19-20-17(24-16)25-15-6-5-14(21(22)23)8-13(15)9-18/h3-8H,1-2H3