(E)-2-[(phenylmethylsulfanyl)methyl]but-2-enenitrile

Systemtic Name: (E)-2-[(phenylmethylsulfanyl)methyl]but-2-enenitrile Openeye Name: (E)-2-(benzylsulfanylmethyl)but-2-enenitrile CAS Name: (E)-2-[(phenylmethylthio)methyl]-2-butenenitrile IUPAC Name: (E)-2-(benzylsulfanylmethyl)but-2-enenitrile Traditional Name: (E)-2-[(benzylthio)methyl]but-2-enenitrile Formula: C12H13NS MolecularWeight: 203.30332

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(CSCC1=CC=CC=C1)C#N

Isomeric SMILES

C/C=C(/CSCC1=CC=CC=C1)\C#N

InChI

InChI=1S/C12H13NS/c1-2-11(8-13)9-14-10-12-6-4-3-5-7-12/h2-7H,9-10H2,1H3/b11-2+