3-(2-ethylhexylsulfanyl)-2-methyl-propanenitrile

Systemtic Name: 3-(2-ethylhexylsulfanyl)-2-methyl-propanenitrile Openeye Name: 3-(2-ethylhexylsulfanyl)-2-methyl-propanenitrile CAS Name: 3-(2-ethylhexylthio)-2-methylpropanenitrile IUPAC Name: 3-(2-ethylhexylsulfanyl)-2-methylpropanenitrile Traditional Name: 3-(2-ethylhexylthio)-2-methyl-propionitrile Formula: C12H23NS MolecularWeight: 213.38272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CSCC(C)C#N

Isomeric SMILES

CCCCC(CC)CSCC(C)C#N

InChI

InChI=1S/C12H23NS/c1-4-6-7-12(5-2)10-14-9-11(3)8-13/h11-12H,4-7,9-10H2,1-3H3