1-[4-bromanyl-2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-3-(3-ethanoylphenyl)urea

Systemtic Name: 1-[4-bromanyl-2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-3-(3-ethanoylphenyl)urea Openeye Name: 1-(3-acetylphenyl)-3-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]urea CAS Name: 1-(3-acetylphenyl)-3-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]urea IUPAC Name: 1-(3-acetylphenyl)-3-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]urea Traditional Name: 1-(3-acetylphenyl)-3-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]urea Formula: C16H13BrN6O2 MolecularWeight: 401.21742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)NC2=C(C=C(C=C2)Br)C3=NNN=N3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)NC2=C(C=C(C=C2)Br)C3=NNN=N3

InChI

InChI=1S/C16H13BrN6O2/c1-9(24)10-3-2-4-12(7-10)18-16(25)19-14-6-5-11(17)8-13(14)15-20-22-23-21-15/h2-8H,1H3,(H2,18,19,25)(H,20,21,22,23)