4-[4-(2-oxidanylidenepropylsulfanyl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(2-oxidanylidenepropylsulfanyl)phenyl]benzenecarbonitrile Openeye Name: 4-(4-acetonylsulfanylphenyl)benzonitrile CAS Name: 4-[4-(2-oxopropylthio)phenyl]benzonitrile IUPAC Name: 4-[4-(2-oxopropylsulfanyl)phenyl]benzonitrile Traditional Name: 4-[4-(acetonylthio)phenyl]benzonitrile Formula: C16H13NOS MolecularWeight: 267.34552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(=O)CSC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

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