4-(4,4-dimethyl-5-oxidanylidene-3-prop-1-ynyl-2-sulfanylidene-imidazolidin-1-yl)-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-(4,4-dimethyl-5-oxidanylidene-3-prop-1-ynyl-2-sulfanylidene-imidazolidin-1-yl)-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-(4,4-dimethyl-5-oxo-3-prop-1-ynyl-2-thioxo-imidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile CAS Name: 4-(4,4-dimethyl-5-oxo-3-prop-1-ynyl-2-sulfanylidene-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-(4,4-dimethyl-5-oxo-3-prop-1-ynyl-2-sulfanylideneimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile Traditional Name: 4-(5-keto-4,4-dimethyl-3-prop-1-ynyl-2-thioxo-imidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile Formula: C16H12F3N3OS MolecularWeight: 351.34619

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Descriptors Computed from Structure

Canonical SMILES:

CC#CN1C(=S)N(C(=O)C1(C)C)C2=CC(=C(C=C2)C#N)C(F)(F)F

Isomeric SMILES

CC#CN1C(=S)N(C(=O)C1(C)C)C2=CC(=C(C=C2)C#N)C(F)(F)F

InChI

InChI=1S/C16H12F3N3OS/c1-4-7-21-14(24)22(13(23)15(21,2)3)11-6-5-10(9-20)12(8-11)16(17,18)19/h5-6,8H,1-3H3