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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(O1)SCC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C1=NN=C(O1)SCC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H12ClN3O4S/c1-7(2)12-15-16-13(21-12)22-6-11(18)9-5-8(17(19)20)3-4-10(9)14/h3-5,7H,6H2,1-2H3