2-[(E)-1-(5-butylthiophen-2-yl)-3-(4-nitrophenyl)prop-2-enylidene]propanedinitrile

Systemtic Name: 2-[(E)-1-(5-butylthiophen-2-yl)-3-(4-nitrophenyl)prop-2-enylidene]propanedinitrile Openeye Name: 2-[(E)-1-(5-butyl-2-thienyl)-3-(4-nitrophenyl)prop-2-enylidene]propanedinitrile CAS Name: 2-[(E)-1-(5-butyl-2-thiophenyl)-3-(4-nitrophenyl)prop-2-enylidene]propanedinitrile IUPAC Name: 2-[(E)-1-(5-butylthiophen-2-yl)-3-(4-nitrophenyl)prop-2-enylidene]propanedinitrile Traditional Name: 2-[(E)-1-(5-butyl-2-thienyl)-3-(4-nitrophenyl)prop-2-enylidene]malononitrile Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(S1)C(=C(C#N)C#N)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(S1)C(=C(C#N)C#N)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O2S/c1-2-3-4-18-10-12-20(26-18)19(16(13-21)14-22)11-7-15-5-8-17(9-6-15)23(24)25/h5-12H,2-4H2,1H3/b11-7+