2-(3-butylsulfanyl-2-oxidanyl-propyl)sulfanyl-4-(4-methylphenyl)-6-phenyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-(3-butylsulfanyl-2-oxidanyl-propyl)sulfanyl-4-(4-methylphenyl)-6-phenyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-(3-butylsulfanyl-2-hydroxy-propyl)sulfanyl-6-phenyl-4-(p-tolyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-[[3-(butylthio)-2-hydroxypropyl]thio]-4-(4-methylphenyl)-6-phenyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-(3-butylsulfanyl-2-hydroxypropyl)sulfanyl-4-(4-methylphenyl)-6-phenylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[[3-(butylthio)-2-hydroxy-propyl]thio]-6-phenyl-4-(p-tolyl)pyridin-1-ium-3-carbonitrile Formula: C26H29N2OS2+ MolecularWeight: 449.65126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(CSC1=C(C(=CC(=[NH+]1)C2=CC=CC=C2)C3=CC=C(C=C3)C)C#N)O

Isomeric SMILES

CCCCSCC(CSC1=C(C(=CC(=[NH+]1)C2=CC=CC=C2)C3=CC=C(C=C3)C)C#N)O

InChI

InChI=1S/C26H28N2OS2/c1-3-4-14-30-17-22(29)18-31-26-24(16-27)23(20-12-10-19(2)11-13-20)15-25(28-26)21-8-6-5-7-9-21/h5-13,15,22,29H,3-4,14,17-18H2,1-2H3/p+1