2-[4-[[(2-azanyl-4-cyano-5-methyl-thiophen-3-yl)amino]methyl]phenyl]-N-butanoyl-benzonitrilium

Systemtic Name: 2-[4-[[(2-azanyl-4-cyano-5-methyl-thiophen-3-yl)amino]methyl]phenyl]-N-butanoyl-benzonitrilium Openeye Name: 2-[4-[[(2-amino-4-cyano-5-methyl-3-thienyl)amino]methyl]phenyl]-N-butanoyl-benzonitrilium CAS Name: 2-[4-[[(2-amino-4-cyano-5-methyl-3-thiophenyl)amino]methyl]phenyl]-N-(1-oxobutyl)benzonitrilium IUPAC Name: 2-[4-[[(2-amino-4-cyano-5-methylthiophen-3-yl)amino]methyl]phenyl]-N-butanoylbenzonitrilium Traditional Name: 2-[4-[[(2-amino-4-cyano-5-methyl-3-thienyl)amino]methyl]phenyl]-N-butyryl-benzonitrilium Formula: C24H23N4OS+ MolecularWeight: 415.53062

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[N+]#CC1=CC=CC=C1C2=CC=C(C=C2)CNC3=C(SC(=C3C#N)C)N

Isomeric SMILES

CCCC(=O)[N+]#CC1=CC=CC=C1C2=CC=C(C=C2)CNC3=C(SC(=C3C#N)C)N

InChI

InChI=1S/C24H23N4OS/c1-3-6-22(29)27-15-19-7-4-5-8-20(19)18-11-9-17(10-12-18)14-28-23-21(13-25)16(2)30-24(23)26/h4-5,7-12,28H,3,6,14,26H2,1-2H3/q+1