2-[[5-(3,5-dinitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[[5-(3,5-dinitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-[[5-(3,5-dinitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-6-methyl-pyridine-3-carbonitrile CAS Name: 2-[[5-(3,5-dinitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-[[5-(3,5-dinitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-6-methylpyridine-3-carbonitrile Traditional Name: 2-[[5-(3,5-dinitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-6-methyl-nicotinonitrile Formula: C16H10N6O5S MolecularWeight: 398.3528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCC2=NN=C(O2)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCC2=NN=C(O2)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H10N6O5S/c1-9-2-3-10(7-17)16(18-9)28-8-14-19-20-15(27-14)11-4-12(21(23)24)6-13(5-11)22(25)26/h2-6H,8H2,1H3