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

Systemtic Name: 2-azanyl-6-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(4-butylphenyl)-2-oxo-ethyl]sulfanyl-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(4-butylphenyl)-2-oxoethyl]thio]-4-phenylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(4-butylphenyl)-2-oxoethyl]sulfanyl-4-phenylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(4-butylphenyl)-2-keto-ethyl]thio]-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C25H23N4OS+ MolecularWeight: 427.54132

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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=CC=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4OS/c1-2-3-7-17-10-12-18(13-11-17)22(30)16-31-25-21(15-27)23(19-8-5-4-6-9-19)20(14-26)24(28)29-25/h4-6,8-13H,2-3,7,16H2,1H3,(H2,28,29)/p+1