1-[4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)thio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)thio]-3-nitro-phenyl]ethanone Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(O2)C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(O2)C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O4S/c1-10(20)12-7-8-14(13(9-12)19(21)22)24-16-18-17-15(23-16)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3