3-(5-butyl-4-nitro-thiophen-2-yl)-2-cyano-prop-2-enethioamide

Systemtic Name: 3-(5-butyl-4-nitro-thiophen-2-yl)-2-cyano-prop-2-enethioamide Openeye Name: 3-(5-butyl-4-nitro-2-thienyl)-2-cyano-prop-2-enethioamide CAS Name: 3-(5-butyl-4-nitro-2-thiophenyl)-2-cyano-2-propenethioamide IUPAC Name: 3-(5-butyl-4-nitrothiophen-2-yl)-2-cyanoprop-2-enethioamide Traditional Name: 3-(5-butyl-4-nitro-2-thienyl)-2-cyano-thioacrylamide Formula: C12H13N3O2S2 MolecularWeight: 295.38052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2S2/c1-2-3-4-11-10(15(16)17)6-9(19-11)5-8(7-13)12(14)18/h5-6H,2-4H2,1H3,(H2,14,18)