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

Systemtic Name: 1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thio]-3-nitro-phenyl]ethanone Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(O2)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(O2)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O4S/c1-7(17)9-4-5-11(10(6-9)16(18)19)21-13-15-14-12(20-13)8-2-3-8/h4-6,8H,2-3H2,1H3