1-cyano-2-(3,3-dimethylbutan-2-yl)-3-[4-(trifluoromethylsulfonyl)phenyl]guanidine

Systemtic Name: 1-cyano-2-(3,3-dimethylbutan-2-yl)-3-[4-(trifluoromethylsulfonyl)phenyl]guanidine Openeye Name: 1-cyano-3-[4-(trifluoromethylsulfonyl)phenyl]-2-(1,2,2-trimethylpropyl)guanidine CAS Name: 1-cyano-2-(3,3-dimethylbutan-2-yl)-3-[4-(trifluoromethylsulfonyl)phenyl]guanidine IUPAC Name: 1-cyano-2-(3,3-dimethylbutan-2-yl)-3-[4-(trifluoromethylsulfonyl)phenyl]guanidine Traditional Name: 1-cyano-3-(4-triflylphenyl)-2-(1,2,2-trimethylpropyl)guanidine Formula: C15H19F3N4O2S MolecularWeight: 376.39717

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)N=C(NC#N)NC1=CC=C(C=C1)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C(C)(C)C)N=C(NC#N)NC1=CC=C(C=C1)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C15H19F3N4O2S/c1-10(14(2,3)4)21-13(20-9-19)22-11-5-7-12(8-6-11)25(23,24)15(16,17)18/h5-8,10H,1-4H3,(H2,20,21,22)