4-[2-(4-chlorophenyl)sulfanylethoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[2-(4-chlorophenyl)sulfanylethoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[2-(4-chlorophenyl)sulfanylethoxy]-3-methoxy-benzonitrile CAS Name: 4-[2-[(4-chlorophenyl)thio]ethoxy]-3-methoxybenzonitrile IUPAC Name: 4-[2-(4-chlorophenyl)sulfanylethoxy]-3-methoxybenzonitrile Traditional Name: 4-[2-[(4-chlorophenyl)thio]ethoxy]-3-methoxy-benzonitrile Formula: C16H14ClNO2S MolecularWeight: 319.80586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H14ClNO2S/c1-19-16-10-12(11-18)2-7-15(16)20-8-9-21-14-5-3-13(17)4-6-14/h2-7,10H,8-9H2,1H3