1-[(2S)-5-(4-bromophenyl)-2-(5-nitrothiophen-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone

Systemtic Name: 1-[(2S)-5-(4-bromophenyl)-2-(5-nitrothiophen-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone Openeye Name: 1-[(2S)-5-(4-bromophenyl)-2-(5-nitro-2-thienyl)-2H-1,3,4-oxadiazol-3-yl]ethanone CAS Name: 1-[(2S)-5-(4-bromophenyl)-2-(5-nitro-2-thiophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone IUPAC Name: 1-[(2S)-5-(4-bromophenyl)-2-(5-nitrothiophen-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone Traditional Name: 1-[(2S)-5-(4-bromophenyl)-2-(5-nitro-2-thienyl)-2H-1,3,4-oxadiazol-3-yl]ethanone Formula: C14H10BrN3O4S MolecularWeight: 396.2159

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(OC(=N1)C2=CC=C(C=C2)Br)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1[C@@H](OC(=N1)C2=CC=C(C=C2)Br)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C14H10BrN3O4S/c1-8(19)17-14(11-6-7-12(23-11)18(20)21)22-13(16-17)9-2-4-10(15)5-3-9/h2-7,14H,1H3/t14-/m0/s1