2-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-[3-(4-chlorophenoxy)-2-hydroxy-propyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]thio]-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-[[3-(4-chlorophenoxy)-2-hydroxy-propyl]thio]-4,6-diphenyl-nicotinonitrile Formula: C27H21ClN2O2S MolecularWeight: 472.98584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(COC3=CC=C(C=C3)Cl)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(COC3=CC=C(C=C3)Cl)O)C4=CC=CC=C4

InChI

InChI=1S/C27H21ClN2O2S/c28-21-11-13-23(14-12-21)32-17-22(31)18-33-27-25(16-29)24(19-7-3-1-4-8-19)15-26(30-27)20-9-5-2-6-10-20/h1-15,22,31H,17-18H2