4-(tert-butylsulfanylmethyl)benzenecarbonitrile

Systemtic Name: 4-(tert-butylsulfanylmethyl)benzenecarbonitrile Openeye Name: 4-(tert-butylsulfanylmethyl)benzonitrile CAS Name: 4-[(tert-butylthio)methyl]benzonitrile IUPAC Name: 4-(tert-butylsulfanylmethyl)benzonitrile Traditional Name: 4-[(tert-butylthio)methyl]benzonitrile Formula: C12H15NS MolecularWeight: 205.3192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=CC=C(C=C1)C#N

Isomeric SMILES

CC(C)(C)SCC1=CC=C(C=C1)C#N

InChI

InChI=1S/C12H15NS/c1-12(2,3)14-9-11-6-4-10(8-13)5-7-11/h4-7H,9H2,1-3H3