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

Systemtic Name: 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-4-nitro-6-prop-2-enyl-phenolate Openeye Name: 2-allyl-6-[(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-nitro-6-prop-2-enylphenolate IUPAC Name: 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-4-nitro-6-prop-2-enylphenolate Traditional Name: 2-allyl-6-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-4-nitro-phenolate Formula: C19H16N3O3S- MolecularWeight: 366.41364

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=C(C3=C(S2)CCCC3)C#N)[O-]

Isomeric SMILES

C=CCC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=C(C3=C(S2)CCCC3)C#N)[O-]

InChI

InChI=1S/C19H17N3O3S/c1-2-5-12-8-14(22(24)25)9-13(18(12)23)11-21-19-16(10-20)15-6-3-4-7-17(15)26-19/h2,8-9,11,23H,1,3-7H2/p-1