4-(2-chlorophenyl)-2-phenethylsulfanyl-6-phenyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 4-(2-chlorophenyl)-2-phenethylsulfanyl-6-phenyl-pyridin-1-ium-3-carbonitrile Openeye Name: 4-(2-chlorophenyl)-2-phenethylsulfanyl-6-phenyl-pyridin-1-ium-3-carbonitrile CAS Name: 4-(2-chlorophenyl)-2-(phenethylthio)-6-phenyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 4-(2-chlorophenyl)-2-phenethylsulfanyl-6-phenylpyridin-1-ium-3-carbonitrile Traditional Name: 4-(2-chlorophenyl)-2-(phenethylthio)-6-phenyl-pyridin-1-ium-3-carbonitrile Formula: C26H20ClN2S+ MolecularWeight: 427.9684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=C(C(=CC(=[NH+]2)C3=CC=CC=C3)C4=CC=CC=C4Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=C(C(=CC(=[NH+]2)C3=CC=CC=C3)C4=CC=CC=C4Cl)C#N

InChI

InChI=1S/C26H19ClN2S/c27-24-14-8-7-13-21(24)22-17-25(20-11-5-2-6-12-20)29-26(23(22)18-28)30-16-15-19-9-3-1-4-10-19/h1-14,17H,15-16H2/p+1