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

Systemtic Name: 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 5-nitro-2-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzonitrile CAS Name: 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-5-nitrobenzonitrile Traditional Name: 5-nitro-2-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]thio]benzonitrile Formula: C16H10N4O3S MolecularWeight: 338.3406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10N4O3S/c1-10-2-4-11(5-3-10)15-18-19-16(23-15)24-14-7-6-13(20(21)22)8-12(14)9-17/h2-8H,1H3