3-(5-tert-butyl-2-methyl-phenyl)sulfanylpropanenitrile

Systemtic Name: 3-(5-tert-butyl-2-methyl-phenyl)sulfanylpropanenitrile Openeye Name: 3-(5-tert-butyl-2-methyl-phenyl)sulfanylpropanenitrile CAS Name: 3-[(5-tert-butyl-2-methylphenyl)thio]propanenitrile IUPAC Name: 3-(5-tert-butyl-2-methylphenyl)sulfanylpropanenitrile Traditional Name: 3-[(5-tert-butyl-2-methyl-phenyl)thio]propionitrile Formula: C14H19NS MolecularWeight: 233.37236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)SCCC#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)SCCC#N

InChI

InChI=1S/C14H19NS/c1-11-6-7-12(14(2,3)4)10-13(11)16-9-5-8-15/h6-7,10H,5,9H2,1-4H3