2-[(5-butyl-4-nitro-thiophen-2-yl)methylidene]propanedinitrile

Systemtic Name: 2-[(5-butyl-4-nitro-thiophen-2-yl)methylidene]propanedinitrile Openeye Name: 2-[(5-butyl-4-nitro-2-thienyl)methylene]propanedinitrile CAS Name: 2-[(5-butyl-4-nitro-2-thiophenyl)methylidene]propanedinitrile IUPAC Name: 2-[(5-butyl-4-nitrothiophen-2-yl)methylidene]propanedinitrile Traditional Name: 2-[(5-butyl-4-nitro-2-thienyl)methylene]malononitrile Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(S1)C=C(C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C=C(S1)C=C(C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O2S/c1-2-3-4-12-11(15(16)17)6-10(18-12)5-9(7-13)8-14/h5-6H,2-4H2,1H3