5-(chloromethylsulfanyl)-3,3,4-trimethyl-2H-pyrrole-4-carbonitrile

Systemtic Name: 5-(chloromethylsulfanyl)-3,3,4-trimethyl-2H-pyrrole-4-carbonitrile Openeye Name: 5-(chloromethylsulfanyl)-3,3,4-trimethyl-2H-pyrrole-4-carbonitrile CAS Name: 5-(chloromethylthio)-3,3,4-trimethyl-2H-pyrrole-4-carbonitrile IUPAC Name: 5-(chloromethylsulfanyl)-3,3,4-trimethyl-2H-pyrrole-4-carbonitrile Traditional Name: 2-(chloromethylthio)-3,4,4-trimethyl-1-pyrroline-3-carbonitrile Formula: C9H13ClN2S MolecularWeight: 216.73092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CN=C(C1(C)C#N)SCCl)C

Isomeric SMILES

CC1(CN=C(C1(C)C#N)SCCl)C

InChI

InChI=1S/C9H13ClN2S/c1-8(2)5-12-7(13-6-10)9(8,3)4-11/h5-6H2,1-3H3