1-(3-azido-4-iodanyl-phenyl)-3-cyano-2-(2-methylbutan-2-yl)guanidine

Systemtic Name: 1-(3-azido-4-iodanyl-phenyl)-3-cyano-2-(2-methylbutan-2-yl)guanidine Openeye Name: 1-(3-azido-4-iodo-phenyl)-3-cyano-2-(1,1-dimethylpropyl)guanidine CAS Name: 1-(3-azido-4-iodophenyl)-3-cyano-2-(2-methylbutan-2-yl)guanidine IUPAC Name: 1-(3-azido-4-iodophenyl)-3-cyano-2-(2-methylbutan-2-yl)guanidine Traditional Name: 2-tert-amyl-1-(3-azido-4-iodo-phenyl)-3-cyano-guanidine Formula: C13H16IN7 MolecularWeight: 397.21751

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N=C(NC#N)NC1=CC(=C(C=C1)I)N=[N+]=[N-]

Isomeric SMILES

CCC(C)(C)N=C(NC#N)NC1=CC(=C(C=C1)I)N=[N+]=[N-]

InChI

InChI=1S/C13H16IN7/c1-4-13(2,3)19-12(17-8-15)18-9-5-6-10(14)11(7-9)20-21-16/h5-7H,4H2,1-3H3,(H2,17,18,19)