3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(4-isopropylphenyl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(4-propan-2-ylphenyl)thio]methyl]benzonitrile IUPAC Name: 3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzonitrile Traditional Name: 3-[(p-cumenylthio)methyl]benzonitrile Formula: C17H17NS MolecularWeight: 267.38858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NS/c1-13(2)16-6-8-17(9-7-16)19-12-15-5-3-4-14(10-15)11-18/h3-10,13H,12H2,1-2H3