2-[2-oxidanyl-3-(phenylmethyl)sulfinyl-propyl]sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[2-oxidanyl-3-(phenylmethyl)sulfinyl-propyl]sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-(3-benzylsulfinyl-2-hydroxy-propyl)sulfanyl-6-(2-thienyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[2-hydroxy-3-(phenylmethyl)sulfinylpropyl]thio]-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-(3-benzylsulfinyl-2-hydroxypropyl)sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(3-benzylsulfinyl-2-hydroxy-propyl)thio]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile Formula: C21H17F3N2O2S3 MolecularWeight: 482.56209

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)CC(CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)CC(CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N)O

InChI

InChI=1S/C21H17F3N2O2S3/c22-21(23,24)17-9-18(19-7-4-8-29-19)26-20(16(17)10-25)30-11-15(27)13-31(28)12-14-5-2-1-3-6-14/h1-9,15,27H,11-13H2