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

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(2-chloro-5-nitro-phenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone CAS Name: 1-(2-chloro-5-nitrophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)thio]ethanone IUPAC Name: 1-(2-chloro-5-nitrophenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(2-chloro-5-nitro-phenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)thio]ethanone Formula: C13H12ClN3O4S MolecularWeight: 341.77008

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(O1)SCC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCC1=NN=C(O1)SCC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H12ClN3O4S/c1-2-3-12-15-16-13(21-12)22-7-11(18)9-6-8(17(19)20)4-5-10(9)14/h4-6H,2-3,7H2,1H3