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

Systemtic Name: 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-2-nitro-phenolate Openeye Name: 4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-2-nitro-phenolate CAS Name: 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-2-nitrophenolate IUPAC Name: 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-2-nitrophenolate Traditional Name: 4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-2-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=CC(=C(C=C3)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

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