6-(4-chlorophenyl)-5-(3-methylpyridin-1-ium-1-yl)-4-oxidanyl-4-phenyl-2-sulfanyl-cyclohexene-1-carbonitrile

Systemtic Name: 6-(4-chlorophenyl)-5-(3-methylpyridin-1-ium-1-yl)-4-oxidanyl-4-phenyl-2-sulfanyl-cyclohexene-1-carbonitrile Openeye Name: 6-(4-chlorophenyl)-4-hydroxy-5-(3-methylpyridin-1-ium-1-yl)-4-phenyl-2-sulfanyl-cyclohexene-1-carbonitrile CAS Name: 6-(4-chlorophenyl)-4-hydroxy-2-mercapto-5-(3-methyl-1-pyridin-1-iumyl)-4-phenyl-1-cyclohexenecarbonitrile IUPAC Name: 6-(4-chlorophenyl)-4-hydroxy-5-(3-methylpyridin-1-ium-1-yl)-4-phenyl-2-sulfanylcyclohexene-1-carbonitrile Traditional Name: 6-(4-chlorophenyl)-4-hydroxy-2-mercapto-5-(3-methylpyridin-1-ium-1-yl)-4-phenyl-cyclohexene-1-carbonitrile Formula: C25H22ClN2OS+ MolecularWeight: 433.97298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2C(C(=C(CC2(C3=CC=CC=C3)O)S)C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C[N+](=CC=C1)C2C(C(=C(CC2(C3=CC=CC=C3)O)S)C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H21ClN2OS/c1-17-6-5-13-28(16-17)24-23(18-9-11-20(26)12-10-18)21(15-27)22(30)14-25(24,29)19-7-3-2-4-8-19/h2-13,16,23-24,29H,14H2,1H3/p+1