2-[3-[(4-hydroxyphenyl)sulfanylmethyl]-5-methyl-phenyl]-2-methyl-propanenitrile

Systemtic Name: 2-[3-[(4-hydroxyphenyl)sulfanylmethyl]-5-methyl-phenyl]-2-methyl-propanenitrile Openeye Name: 2-[3-[(4-hydroxyphenyl)sulfanylmethyl]-5-methyl-phenyl]-2-methyl-propanenitrile CAS Name: 2-[3-[[(4-hydroxyphenyl)thio]methyl]-5-methylphenyl]-2-methylpropanenitrile IUPAC Name: 2-[3-[(4-hydroxyphenyl)sulfanylmethyl]-5-methylphenyl]-2-methylpropanenitrile Traditional Name: 2-[3-[[(4-hydroxyphenyl)thio]methyl]-5-methyl-phenyl]-2-methyl-propionitrile Formula: C18H19NOS MolecularWeight: 297.41456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C)(C)C#N)CSC2=CC=C(C=C2)O

Isomeric SMILES

CC1=CC(=CC(=C1)C(C)(C)C#N)CSC2=CC=C(C=C2)O

InChI

InChI=1S/C18H19NOS/c1-13-8-14(10-15(9-13)18(2,3)12-19)11-21-17-6-4-16(20)5-7-17/h4-10,20H,11H2,1-3H3