3-isothiocyanato-4-(3-methylbut-2-enyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile

Systemtic Name: 3-isothiocyanato-4-(3-methylbut-2-enyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile Openeye Name: 3-isothiocyanato-4-(3-methylbut-2-enyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile CAS Name: 3-isothiocyanato-4-(3-methylbut-2-enyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile IUPAC Name: 3-isothiocyanato-4-(3-methylbut-2-enyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile Traditional Name: 3-isothiocyanato-4-(3-methylbut-2-enyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile Formula: C16H13N5S MolecularWeight: 307.37292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5S/c1-12(2)3-4-13-5-6-15(7-17,8-18)16(9-19,10-20)14(13)21-11-22/h3,5,14H,4,6H2,1-2H3