4-[4-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]benzonitrile CAS Name: 4-[4-[2-[(4-chlorophenyl)thio]ethoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]benzonitrile Traditional Name: 4-[4-[2-[(4-chlorophenyl)thio]ethoxy]phenyl]benzonitrile Formula: C21H16ClNOS MolecularWeight: 365.87584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H16ClNOS/c22-19-7-11-21(12-8-19)25-14-13-24-20-9-5-18(6-10-20)17-3-1-16(15-23)2-4-17/h1-12H,13-14H2