5-chloranyl-2-(3-methoxyphenyl)-2-phenylsulfanyl-pentanenitrile

Systemtic Name: 5-chloranyl-2-(3-methoxyphenyl)-2-phenylsulfanyl-pentanenitrile Openeye Name: 5-chloro-2-(3-methoxyphenyl)-2-phenylsulfanyl-pentanenitrile CAS Name: 5-chloro-2-(3-methoxyphenyl)-2-(phenylthio)pentanenitrile IUPAC Name: 5-chloro-2-(3-methoxyphenyl)-2-phenylsulfanylpentanenitrile Traditional Name: 5-chloro-2-(3-methoxyphenyl)-2-(phenylthio)valeronitrile Formula: C18H18ClNOS MolecularWeight: 331.85962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CCCCl)(C#N)SC2=CC=CC=C2

Isomeric SMILES

COC1=CC=CC(=C1)C(CCCCl)(C#N)SC2=CC=CC=C2

InChI

InChI=1S/C18H18ClNOS/c1-21-16-8-5-7-15(13-16)18(14-20,11-6-12-19)22-17-9-3-2-4-10-17/h2-5,7-10,13H,6,11-12H2,1H3