3-(4-chloranylbutylsulfanylmethyl)benzenecarbonitrile

Systemtic Name: 3-(4-chloranylbutylsulfanylmethyl)benzenecarbonitrile Openeye Name: 3-(4-chlorobutylsulfanylmethyl)benzonitrile CAS Name: 3-[(4-chlorobutylthio)methyl]benzonitrile IUPAC Name: 3-(4-chlorobutylsulfanylmethyl)benzonitrile Traditional Name: 3-[(4-chlorobutylthio)methyl]benzonitrile Formula: C12H14ClNS MolecularWeight: 239.76426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSCCCCCl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSCCCCCl)C#N

InChI

InChI=1S/C12H14ClNS/c13-6-1-2-7-15-10-12-5-3-4-11(8-12)9-14/h3-5,8H,1-2,6-7,10H2