1-[3,5-bis(trifluoromethyl)phenyl]-3-cyano-2-(2-methylbutan-2-yl)guanidine

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-cyano-2-(2-methylbutan-2-yl)guanidine Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-cyano-2-(1,1-dimethylpropyl)guanidine CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-cyano-2-(2-methylbutan-2-yl)guanidine IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-cyano-2-(2-methylbutan-2-yl)guanidine Traditional Name: 2-tert-amyl-1-[3,5-bis(trifluoromethyl)phenyl]-3-cyano-guanidine Formula: C15H16F6N4 MolecularWeight: 366.304759

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N=C(NC#N)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCC(C)(C)N=C(NC#N)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C15H16F6N4/c1-4-13(2,3)25-12(23-8-22)24-11-6-9(14(16,17)18)5-10(7-11)15(19,20)21/h5-7H,4H2,1-3H3,(H2,23,24,25)