4-chloranyl-2-[3-(methylaminomethyl)-2-methylsulfanyl-phenoxy]benzenecarbonitrile

Systemtic Name: 4-chloranyl-2-[3-(methylaminomethyl)-2-methylsulfanyl-phenoxy]benzenecarbonitrile Openeye Name: 4-chloro-2-[3-(methylaminomethyl)-2-methylsulfanyl-phenoxy]benzonitrile CAS Name: 4-chloro-2-[3-(methylaminomethyl)-2-(methylthio)phenoxy]benzonitrile IUPAC Name: 4-chloro-2-[3-(methylaminomethyl)-2-methylsulfanylphenoxy]benzonitrile Traditional Name: 4-chloro-2-[3-(methylaminomethyl)-2-(methylthio)phenoxy]benzonitrile Formula: C16H15ClN2OS MolecularWeight: 318.8211

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C(=CC=C1)OC2=C(C=CC(=C2)Cl)C#N)SC

Isomeric SMILES

CNCC1=C(C(=CC=C1)OC2=C(C=CC(=C2)Cl)C#N)SC

InChI

InChI=1S/C16H15ClN2OS/c1-19-10-12-4-3-5-14(16(12)21-2)20-15-8-13(17)7-6-11(15)9-18/h3-8,19H,10H2,1-2H3