3-[(4-tert-butylphenyl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(4-tert-butylphenyl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(4-tert-butylphenyl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(4-tert-butylphenyl)thio]methyl]benzonitrile IUPAC Name: 3-[(4-tert-butylphenyl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(4-tert-butylphenyl)thio]methyl]benzonitrile Formula: C18H19NS MolecularWeight: 281.41516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H19NS/c1-18(2,3)16-7-9-17(10-8-16)20-13-15-6-4-5-14(11-15)12-19/h4-11H,13H2,1-3H3