2-bromanyl-6-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-bromanyl-6-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-4-nitro-phenolate Openeye Name: 2-bromo-6-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-4-nitro-phenolate CAS Name: 2-bromo-6-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-4-nitrophenolate IUPAC Name: 2-bromo-6-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-4-nitrophenolate Traditional Name: 2-bromo-6-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-4-nitro-phenolate Formula: C16H11BrN3O3S- MolecularWeight: 405.24584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N=CC3=CC(=CC(=C3[O-])Br)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N=CC3=CC(=CC(=C3[O-])Br)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H12BrN3O3S/c17-13-6-10(20(22)23)5-9(15(13)21)8-19-16-12(7-18)11-3-1-2-4-14(11)24-16/h5-6,8,21H,1-4H2/p-1