3-(4-tert-butylphenyl)sulfanylpropanenitrile

Systemtic Name: 3-(4-tert-butylphenyl)sulfanylpropanenitrile Openeye Name: 3-(4-tert-butylphenyl)sulfanylpropanenitrile CAS Name: 3-[(4-tert-butylphenyl)thio]propanenitrile IUPAC Name: 3-(4-tert-butylphenyl)sulfanylpropanenitrile Traditional Name: 3-[(4-tert-butylphenyl)thio]propionitrile Formula: C13H17NS MolecularWeight: 219.34578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NS/c1-13(2,3)11-5-7-12(8-6-11)15-10-4-9-14/h5-8H,4,10H2,1-3H3