2-[3-[(4-chlorophenyl)amino]-2-oxidanyl-propyl]sulfanyl-4-(4-methylphenyl)-6-phenyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[3-[(4-chlorophenyl)amino]-2-oxidanyl-propyl]sulfanyl-4-(4-methylphenyl)-6-phenyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[3-(4-chloroanilino)-2-hydroxy-propyl]sulfanyl-6-phenyl-4-(p-tolyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-[[3-(4-chloroanilino)-2-hydroxypropyl]thio]-4-(4-methylphenyl)-6-phenyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[3-(4-chloroanilino)-2-hydroxypropyl]sulfanyl-4-(4-methylphenyl)-6-phenylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[[3-(4-chloroanilino)-2-hydroxy-propyl]thio]-6-phenyl-4-(p-tolyl)pyridin-1-ium-3-carbonitrile Formula: C28H25ClN3OS+ MolecularWeight: 487.0356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=[NH+]C(=C2C#N)SCC(CNC3=CC=C(C=C3)Cl)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=[NH+]C(=C2C#N)SCC(CNC3=CC=C(C=C3)Cl)O)C4=CC=CC=C4

InChI

InChI=1S/C28H24ClN3OS/c1-19-7-9-20(10-8-19)25-15-27(21-5-3-2-4-6-21)32-28(26(25)16-30)34-18-24(33)17-31-23-13-11-22(29)12-14-23/h2-15,24,31,33H,17-18H2,1H3/p+1