4-[4-(4-azidophenyl)-3,3-dimethyl-2-oxidanylidene-5-sulfanylidene-cyclopentyl]-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-[4-(4-azidophenyl)-3,3-dimethyl-2-oxidanylidene-5-sulfanylidene-cyclopentyl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-[4-(4-azidophenyl)-3,3-dimethyl-2-oxo-5-thioxo-cyclopentyl]-2-(trifluoromethyl)benzonitrile CAS Name: 4-[4-(4-azidophenyl)-3,3-dimethyl-2-oxo-5-sulfanylidenecyclopentyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[4-(4-azidophenyl)-3,3-dimethyl-2-oxo-5-sulfanylidenecyclopentyl]-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[4-(4-azidophenyl)-2-keto-3,3-dimethyl-5-thioxo-cyclopentyl]-2-(trifluoromethyl)benzonitrile Formula: C21H15F3N4OS MolecularWeight: 428.43021

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=S)C(C1=O)C2=CC(=C(C=C2)C#N)C(F)(F)F)C3=CC=C(C=C3)N=[N+]=[N-])C

Isomeric SMILES

CC1(C(C(=S)C(C1=O)C2=CC(=C(C=C2)C#N)C(F)(F)F)C3=CC=C(C=C3)N=[N+]=[N-])C

InChI

InChI=1S/C21H15F3N4OS/c1-20(2)17(11-5-7-14(8-6-11)27-28-26)18(30)16(19(20)29)12-3-4-13(10-25)15(9-12)21(22,23)24/h3-9,16-17H,1-2H3