2-azanyl-6-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-thiophen-2-yl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-thiophen-2-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(4-butylphenyl)-2-oxo-ethyl]sulfanyl-4-(2-thienyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(4-butylphenyl)-2-oxoethyl]thio]-4-thiophen-2-ylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(4-butylphenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(4-butylphenyl)-2-keto-ethyl]thio]-4-(2-thienyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C23H21N4OS2+ MolecularWeight: 433.56904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CS3)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CS3)C#N

InChI

InChI=1S/C23H20N4OS2/c1-2-3-5-15-7-9-16(10-8-15)19(28)14-30-23-18(13-25)21(20-6-4-11-29-20)17(12-24)22(26)27-23/h4,6-11H,2-3,5,14H2,1H3,(H2,26,27)/p+1