1-(3-chloranyl-5-fluoranyl-phenyl)-3-cyano-2-(2-methylbutan-2-yl)guanidine

Systemtic Name: 1-(3-chloranyl-5-fluoranyl-phenyl)-3-cyano-2-(2-methylbutan-2-yl)guanidine Openeye Name: 1-(3-chloro-5-fluoro-phenyl)-3-cyano-2-(1,1-dimethylpropyl)guanidine CAS Name: 1-(3-chloro-5-fluorophenyl)-3-cyano-2-(2-methylbutan-2-yl)guanidine IUPAC Name: 1-(3-chloro-5-fluorophenyl)-3-cyano-2-(2-methylbutan-2-yl)guanidine Traditional Name: 2-tert-amyl-1-(3-chloro-5-fluoro-phenyl)-3-cyano-guanidine Formula: C13H16ClFN4 MolecularWeight: 282.744343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClFN4/c1-4-13(2,3)19-12(17-8-16)18-11-6-9(14)5-10(15)7-11/h5-7H,4H2,1-3H3,(H2,17,18,19)