2-[3-[(4-chlorophenyl)amino]-2-oxidanyl-propyl]sulfanyl-6-(4-methoxyphenyl)-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[3-[(4-chlorophenyl)amino]-2-oxidanyl-propyl]sulfanyl-6-(4-methoxyphenyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[3-(4-chloroanilino)-2-hydroxy-propyl]sulfanyl-6-(4-methoxyphenyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 2-[[3-(4-chloroanilino)-2-hydroxypropyl]thio]-6-(4-methoxyphenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[3-(4-chloroanilino)-2-hydroxypropyl]sulfanyl-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[[3-(4-chloroanilino)-2-hydroxy-propyl]thio]-6-(4-methoxyphenyl)-4-phenyl-nicotinonitrile Formula: C28H24ClN3O2S MolecularWeight: 502.02706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(CNC4=CC=C(C=C4)Cl)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(CNC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C28H24ClN3O2S/c1-34-24-13-7-20(8-14-24)27-15-25(19-5-3-2-4-6-19)26(16-30)28(32-27)35-18-23(33)17-31-22-11-9-21(29)10-12-22/h2-15,23,31,33H,17-18H2,1H3