(Z)-3-phenylsulfanylhept-2-enedinitrile

Systemtic Name: (Z)-3-phenylsulfanylhept-2-enedinitrile Openeye Name: (Z)-3-phenylsulfanylhept-2-enedinitrile CAS Name: (Z)-3-(phenylthio)-2-heptenedinitrile IUPAC Name: (Z)-3-phenylsulfanylhept-2-enedinitrile Traditional Name: (Z)-3-(phenylthio)hept-2-enedinitrile Formula: C13H12N2S MolecularWeight: 228.31278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)S/C(=C\C#N)/CCCC#N

InChI

InChI=1S/C13H12N2S/c14-10-5-4-8-13(9-11-15)16-12-6-2-1-3-7-12/h1-3,6-7,9H,4-5,8H2/b13-9-