4-[(2,5-dimethylphenyl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(2,5-dimethylphenyl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(2,5-dimethylphenyl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(2,5-dimethylphenyl)thio]methyl]benzonitrile IUPAC Name: 4-[(2,5-dimethylphenyl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(2,5-dimethylphenyl)thio]methyl]benzonitrile Formula: C16H15NS MolecularWeight: 253.362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H15NS/c1-12-3-4-13(2)16(9-12)18-11-15-7-5-14(10-17)6-8-15/h3-9H,11H2,1-2H3