3-[[3-tert-butyl-5-(2-cyanoethylsulfanylmethyl)-4-oxidanyl-phenyl]methylsulfanyl]propanenitrile

Systemtic Name: 3-[[3-tert-butyl-5-(2-cyanoethylsulfanylmethyl)-4-oxidanyl-phenyl]methylsulfanyl]propanenitrile Openeye Name: 3-[[3-tert-butyl-5-(2-cyanoethylsulfanylmethyl)-4-hydroxy-phenyl]methylsulfanyl]propanenitrile CAS Name: 3-[[3-tert-butyl-5-[(2-cyanoethylthio)methyl]-4-hydroxyphenyl]methylthio]propanenitrile IUPAC Name: 3-[[3-tert-butyl-5-(2-cyanoethylsulfanylmethyl)-4-hydroxyphenyl]methylsulfanyl]propanenitrile Traditional Name: 3-[[3-tert-butyl-5-[(2-cyanoethylthio)methyl]-4-hydroxy-benzyl]thio]propionitrile Formula: C18H24N2OS2 MolecularWeight: 348.52596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)CSCCC#N)CSCCC#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)CSCCC#N)CSCCC#N

InChI

InChI=1S/C18H24N2OS2/c1-18(2,3)16-11-14(12-22-8-4-6-19)10-15(17(16)21)13-23-9-5-7-20/h10-11,21H,4-5,8-9,12-13H2,1-3H3