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

Systemtic Name: 2-azanyl-6-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-hydroxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(4-butylphenyl)-2-oxo-ethyl]sulfanyl-4-(4-hydroxyphenyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(4-butylphenyl)-2-oxoethyl]thio]-4-(4-hydroxyphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(4-butylphenyl)-2-oxoethyl]sulfanyl-4-(4-hydroxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(4-butylphenyl)-2-keto-ethyl]thio]-4-(4-hydroxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C25H23N4O2S+ MolecularWeight: 443.54072

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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=C(C=C3)O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O2S/c1-2-3-4-16-5-7-17(8-6-16)22(31)15-32-25-21(14-27)23(20(13-26)24(28)29-25)18-9-11-19(30)12-10-18/h5-12,30H,2-4,15H2,1H3,(H2,28,29)/p+1