3,3-dimethyl-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]butan-2-one Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(O1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(O1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O4S/c1-14(2,3)11(18)8-22-13-16-15-12(21-13)9-5-4-6-10(7-9)17(19)20/h4-7H,8H2,1-3H3