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

Systemtic Name: 2-[2-oxidanyl-3-(phenylmethyl)sulfonyl-propyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-(3-benzylsulfonyl-2-hydroxy-propyl)sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-hydroxy-3-(phenylmethyl)sulfonylpropyl]thio]-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-(3-benzylsulfonyl-2-hydroxypropyl)sulfanyl-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-[(3-benzylsulfonyl-2-hydroxy-propyl)thio]-4,6-diphenyl-nicotinonitrile Formula: C28H24N2O3S2 MolecularWeight: 500.63176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CC(CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CC(CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)O

InChI

InChI=1S/C28H24N2O3S2/c29-17-26-25(22-12-6-2-7-13-22)16-27(23-14-8-3-9-15-23)30-28(26)34-18-24(31)20-35(32,33)19-21-10-4-1-5-11-21/h1-16,24,31H,18-20H2