4-[5-azanylidene-3-[2-(1H-imidazol-5-yl)ethyl]-4,4-dimethyl-2-sulfanylidene-imidazolidin-1-yl]-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-[5-azanylidene-3-[2-(1H-imidazol-5-yl)ethyl]-4,4-dimethyl-2-sulfanylidene-imidazolidin-1-yl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-imino-4,4-dimethyl-2-thioxo-imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile CAS Name: 4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-imino-4,4-dimethyl-2-sulfanylidene-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-imino-4,4-dimethyl-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-imino-4,4-dimethyl-2-thioxo-imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile Formula: C18H17F3N6S MolecularWeight: 406.42799

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=N)N(C(=S)N1CCC2=CN=CN2)C3=CC(=C(C=C3)C#N)C(F)(F)F)C

Isomeric SMILES

CC1(C(=N)N(C(=S)N1CCC2=CN=CN2)C3=CC(=C(C=C3)C#N)C(F)(F)F)C

InChI

InChI=1S/C18H17F3N6S/c1-17(2)15(23)27(16(28)26(17)6-5-12-9-24-10-25-12)13-4-3-11(8-22)14(7-13)18(19,20)21/h3-4,7,9-10,23H,5-6H2,1-2H3,(H,24,25)