3-chloranyl-4-[(4-methoxyphenyl)methylsulfanyl]butanenitrile

Systemtic Name: 3-chloranyl-4-[(4-methoxyphenyl)methylsulfanyl]butanenitrile Openeye Name: 3-chloro-4-[(4-methoxyphenyl)methylsulfanyl]butanenitrile CAS Name: 3-chloro-4-[(4-methoxyphenyl)methylthio]butanenitrile IUPAC Name: 3-chloro-4-[(4-methoxyphenyl)methylsulfanyl]butanenitrile Traditional Name: 3-chloro-4-(p-anisylthio)butyronitrile Formula: C12H14ClNOS MolecularWeight: 255.76366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSCC(CC#N)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CSCC(CC#N)Cl

InChI

InChI=1S/C12H14ClNOS/c1-15-12-4-2-10(3-5-12)8-16-9-11(13)6-7-14/h2-5,11H,6,8-9H2,1H3