3-isothiocyanato-4-prop-2-enyl-cyclohex-4-ene-1,1,2,2-tetracarbonitrile

Systemtic Name: 3-isothiocyanato-4-prop-2-enyl-cyclohex-4-ene-1,1,2,2-tetracarbonitrile Openeye Name: 4-allyl-3-isothiocyanato-cyclohex-4-ene-1,1,2,2-tetracarbonitrile CAS Name: 3-isothiocyanato-4-prop-2-enylcyclohex-4-ene-1,1,2,2-tetracarbonitrile IUPAC Name: 3-isothiocyanato-4-prop-2-enylcyclohex-4-ene-1,1,2,2-tetracarbonitrile Traditional Name: 4-allyl-3-isothiocyanato-cyclohex-4-ene-1,1,2,2-tetracarbonitrile Formula: C14H9N5S MolecularWeight: 279.31976

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CCC(C(C1N=C=S)(C#N)C#N)(C#N)C#N

Isomeric SMILES

C=CCC1=CCC(C(C1N=C=S)(C#N)C#N)(C#N)C#N

InChI

InChI=1S/C14H9N5S/c1-2-3-11-4-5-13(6-15,7-16)14(8-17,9-18)12(11)19-10-20/h2,4,12H,1,3,5H2