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

Systemtic Name: (2S)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one Openeye Name: (2S)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexanone CAS Name: (2S)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]-1-cyclohexanone IUPAC Name: (2S)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one Traditional Name: (2S)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]cyclohexanone Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)[C@H](C1)SC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O4S/c18-11-6-1-2-7-12(11)22-14-16-15-13(21-14)9-4-3-5-10(8-9)17(19)20/h3-5,8,12H,1-2,6-7H2/t12-/m0/s1