1-(2,2-dimethylpropyl)-3-[(4-phenyl-1,2,3-triazol-1-yl)methyl]urea

Systemtic Name: 1-(2,2-dimethylpropyl)-3-[(4-phenyl-1,2,3-triazol-1-yl)methyl]urea Openeye Name: 1-(2,2-dimethylpropyl)-3-[(4-phenyltriazol-1-yl)methyl]urea CAS Name: 1-(2,2-dimethylpropyl)-3-[(4-phenyl-1-triazolyl)methyl]urea IUPAC Name: 1-(2,2-dimethylpropyl)-3-[(4-phenyltriazol-1-yl)methyl]urea Traditional Name: 1-neopentyl-3-[(4-phenyltriazol-1-yl)methyl]urea Formula: C15H21N5O MolecularWeight: 287.36014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC(=O)NCN1C=C(N=N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CNC(=O)NCN1C=C(N=N1)C2=CC=CC=C2

InChI

InChI=1S/C15H21N5O/c1-15(2,3)10-16-14(21)17-11-20-9-13(18-19-20)12-7-5-4-6-8-12/h4-9H,10-11H2,1-3H3,(H2,16,17,21)