2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4,6-diphenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4,6-diphenyl-nicotinonitrile Formula: C26H17ClN2O2S MolecularWeight: 456.94338

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N)Cl

InChI

InChI=1S/C26H17ClN2O2S/c27-22-13-25-24(30-16-31-25)11-19(22)15-32-26-21(14-28)20(17-7-3-1-4-8-17)12-23(29-26)18-9-5-2-6-10-18/h1-13H,15-16H2