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

Systemtic Name: 2-azanyl-6-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-thiophen-2-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-4-(2-thienyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(2,4-dimethylphenyl)-2-oxoethyl]thio]-4-thiophen-2-ylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(2,4-dimethylphenyl)-2-keto-ethyl]thio]-4-(2-thienyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C21H17N4OS2+ MolecularWeight: 405.51588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CS3)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CS3)C#N)C

InChI

InChI=1S/C21H16N4OS2/c1-12-5-6-14(13(2)8-12)17(26)11-28-21-16(10-23)19(18-4-3-7-27-18)15(9-22)20(24)25-21/h3-8H,11H2,1-2H3,(H2,24,25)/p+1