3-(4-tert-butylphenyl)sulfanylpentanenitrile

Systemtic Name: 3-(4-tert-butylphenyl)sulfanylpentanenitrile Openeye Name: 3-(4-tert-butylphenyl)sulfanylpentanenitrile CAS Name: 3-[(4-tert-butylphenyl)thio]pentanenitrile IUPAC Name: 3-(4-tert-butylphenyl)sulfanylpentanenitrile Traditional Name: 3-[(4-tert-butylphenyl)thio]valeronitrile Formula: C15H21NS MolecularWeight: 247.39894

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)SC1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CCC(CC#N)SC1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C15H21NS/c1-5-13(10-11-16)17-14-8-6-12(7-9-14)15(2,3)4/h6-9,13H,5,10H2,1-4H3