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

Systemtic Name: 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-4-nitro-phenolate Openeye Name: 2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-4-nitro-phenolate CAS Name: 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-4-nitrophenolate IUPAC Name: 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-4-nitrophenolate Traditional Name: 2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-4-nitro-phenolate Formula: C16H12N3O3S- MolecularWeight: 326.34978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O3S/c17-8-13-12-3-1-2-4-15(12)23-16(13)18-9-10-7-11(19(21)22)5-6-14(10)20/h5-7,9,20H,1-4H2/p-1