4-isothiocyanato-5-methyl-cyclohex-4-ene-1,1,2,2-tetracarbonitrile

Systemtic Name: 4-isothiocyanato-5-methyl-cyclohex-4-ene-1,1,2,2-tetracarbonitrile Openeye Name: 4-isothiocyanato-5-methyl-cyclohex-4-ene-1,1,2,2-tetracarbonitrile CAS Name: 4-isothiocyanato-5-methylcyclohex-4-ene-1,1,2,2-tetracarbonitrile IUPAC Name: 4-isothiocyanato-5-methylcyclohex-4-ene-1,1,2,2-tetracarbonitrile Traditional Name: 4-isothiocyanato-5-methyl-cyclohex-4-ene-1,1,2,2-tetracarbonitrile Formula: C12H7N5S MolecularWeight: 253.28248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)(C#N)C#N)(C#N)C#N)N=C=S

Isomeric SMILES

CC1=C(CC(C(C1)(C#N)C#N)(C#N)C#N)N=C=S

InChI

InChI=1S/C12H7N5S/c1-9-2-11(4-13,5-14)12(6-15,7-16)3-10(9)17-8-18/h2-3H2,1H3