2-[(2,5-dimethylphenoxy)methyl]-5-(3-nitropyridin-2-yl)sulfanyl-1,3,4-oxadiazole

Systemtic Name: 2-[(2,5-dimethylphenoxy)methyl]-5-(3-nitropyridin-2-yl)sulfanyl-1,3,4-oxadiazole Openeye Name: 2-[(2,5-dimethylphenoxy)methyl]-5-[(3-nitro-2-pyridyl)sulfanyl]-1,3,4-oxadiazole CAS Name: 2-[(2,5-dimethylphenoxy)methyl]-5-[(3-nitro-2-pyridinyl)thio]-1,3,4-oxadiazole IUPAC Name: 2-[(2,5-dimethylphenoxy)methyl]-5-(3-nitropyridin-2-yl)sulfanyl-1,3,4-oxadiazole Traditional Name: 2-[(2,5-dimethylphenoxy)methyl]-5-[(3-nitro-2-pyridyl)thio]-1,3,4-oxadiazole Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)SC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)SC3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O4S/c1-10-5-6-11(2)13(8-10)23-9-14-18-19-16(24-14)25-15-12(20(21)22)4-3-7-17-15/h3-8H,9H2,1-2H3