(2S,3S,4R)-2-(4-chlorophenyl)-3-(3-methylpyridin-1-ium-1-yl)-4-oxidanyl-4-phenyl-6-sulfanylidene-cyclohexane-1-carbonitrile

Systemtic Name: (2S,3S,4R)-2-(4-chlorophenyl)-3-(3-methylpyridin-1-ium-1-yl)-4-oxidanyl-4-phenyl-6-sulfanylidene-cyclohexane-1-carbonitrile Openeye Name: (2S,3S,4R)-2-(4-chlorophenyl)-4-hydroxy-3-(3-methylpyridin-1-ium-1-yl)-4-phenyl-6-thioxo-cyclohexanecarbonitrile CAS Name: (2S,3S,4R)-2-(4-chlorophenyl)-4-hydroxy-3-(3-methyl-1-pyridin-1-iumyl)-4-phenyl-6-sulfanylidene-1-cyclohexanecarbonitrile IUPAC Name: (2S,3S,4R)-2-(4-chlorophenyl)-4-hydroxy-3-(3-methylpyridin-1-ium-1-yl)-4-phenyl-6-sulfanylidenecyclohexane-1-carbonitrile Traditional Name: (2S,3S,4R)-2-(4-chlorophenyl)-4-hydroxy-3-(3-methylpyridin-1-ium-1-yl)-4-phenyl-6-thioxo-cyclohexanecarbonitrile Formula: C25H22ClN2OS+ MolecularWeight: 433.97298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C[N+](=CC=C1)[C@H]2[C@@H](C(C(=S)C[C@]2(C3=CC=CC=C3)O)C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClN2OS/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/h2-13,16,21,23-24,29H,14H2,1H3/q+1/t21?,23-,24+,25-/m1/s1