2-[[5-(dibutylamino)-4-isocyano-3-methyl-thiophen-2-yl]methylidene]propanedinitrile

Systemtic Name: 2-[[5-(dibutylamino)-4-isocyano-3-methyl-thiophen-2-yl]methylidene]propanedinitrile Openeye Name: 2-[[5-(dibutylamino)-4-isocyano-3-methyl-2-thienyl]methylene]propanedinitrile CAS Name: 2-[[5-(dibutylamino)-4-isocyano-3-methyl-2-thiophenyl]methylidene]propanedinitrile IUPAC Name: 2-[[5-(dibutylamino)-4-isocyano-3-methylthiophen-2-yl]methylidene]propanedinitrile Traditional Name: 2-[[5-(dibutylamino)-4-isocyano-3-methyl-2-thienyl]methylene]malononitrile Formula: C18H22N4S MolecularWeight: 326.45908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=C(C(=C(S1)C=C(C#N)C#N)C)[N+]#[C-]

Isomeric SMILES

CCCCN(CCCC)C1=C(C(=C(S1)C=C(C#N)C#N)C)[N+]#[C-]

InChI

InChI=1S/C18H22N4S/c1-5-7-9-22(10-8-6-2)18-17(21-4)14(3)16(23-18)11-15(12-19)13-20/h11H,5-10H2,1-3H3