2-[[4,5-bis(fluoranyl)-2-nitro-phenyl]amino]-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[[4,5-bis(fluoranyl)-2-nitro-phenyl]amino]-1-benzothiophene-3-carbonitrile Openeye Name: 2-(4,5-difluoro-2-nitro-anilino)benzothiophene-3-carbonitrile CAS Name: 2-(4,5-difluoro-2-nitroanilino)-1-benzothiophene-3-carbonitrile IUPAC Name: 2-(4,5-difluoro-2-nitroanilino)-1-benzothiophene-3-carbonitrile Traditional Name: 2-(4,5-difluoro-2-nitro-anilino)benzothiophene-3-carbonitrile Formula: C15H7F2N3O2S MolecularWeight: 331.296786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)NC3=CC(=C(C=C3[N+](=O)[O-])F)F)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)NC3=CC(=C(C=C3[N+](=O)[O-])F)F)C#N

InChI

InChI=1S/C15H7F2N3O2S/c16-10-5-12(13(20(21)22)6-11(10)17)19-15-9(7-18)8-3-1-2-4-14(8)23-15/h1-6,19H