2,6-dimethyl-2-phenylsulfanyl-hept-5-enenitrile

Systemtic Name: 2,6-dimethyl-2-phenylsulfanyl-hept-5-enenitrile Openeye Name: 2,6-dimethyl-2-phenylsulfanyl-hept-5-enenitrile CAS Name: 2,6-dimethyl-2-(phenylthio)-5-heptenenitrile IUPAC Name: 2,6-dimethyl-2-phenylsulfanylhept-5-enenitrile Traditional Name: 2,6-dimethyl-2-(phenylthio)hept-5-enenitrile Formula: C15H19NS MolecularWeight: 245.38306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C)(C#N)SC1=CC=CC=C1)C

Isomeric SMILES

CC(=CCCC(C)(C#N)SC1=CC=CC=C1)C

InChI

InChI=1S/C15H19NS/c1-13(2)8-7-11-15(3,12-16)17-14-9-5-4-6-10-14/h4-6,8-10H,7,11H2,1-3H3