2-[3-(aminomethyl)-2-ethylsulfanyl-phenoxy]-4-chloranyl-benzenecarbonitrile

Systemtic Name: 2-[3-(aminomethyl)-2-ethylsulfanyl-phenoxy]-4-chloranyl-benzenecarbonitrile Openeye Name: 2-[3-(aminomethyl)-2-ethylsulfanyl-phenoxy]-4-chloro-benzonitrile CAS Name: 2-[3-(aminomethyl)-2-(ethylthio)phenoxy]-4-chlorobenzonitrile IUPAC Name: 2-[3-(aminomethyl)-2-ethylsulfanylphenoxy]-4-chlorobenzonitrile Traditional Name: 2-[3-(aminomethyl)-2-(ethylthio)phenoxy]-4-chloro-benzonitrile Formula: C16H15ClN2OS MolecularWeight: 318.8211

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=C1OC2=C(C=CC(=C2)Cl)C#N)CN

Isomeric SMILES

CCSC1=C(C=CC=C1OC2=C(C=CC(=C2)Cl)C#N)CN

InChI

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