4-[2-(4-methylphenyl)sulfanylethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-(4-methylphenyl)sulfanylethanoyl]benzenecarbonitrile Openeye Name: 4-[2-(p-tolylsulfanyl)acetyl]benzonitrile CAS Name: 4-[2-[(4-methylphenyl)thio]-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-(4-methylphenyl)sulfanylacetyl]benzonitrile Traditional Name: 4-[2-(p-tolylthio)acetyl]benzonitrile Formula: C16H13NOS MolecularWeight: 267.34552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H13NOS/c1-12-2-8-15(9-3-12)19-11-16(18)14-6-4-13(10-17)5-7-14/h2-9H,11H2,1H3