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

Systemtic Name: 1-[4-bromanyl-2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-3-(4-propylphenyl)urea Openeye Name: 1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(4-propylphenyl)urea CAS Name: 1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(4-propylphenyl)urea IUPAC Name: 1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(4-propylphenyl)urea Traditional Name: 1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(4-propylphenyl)urea Formula: C17H17BrN6O MolecularWeight: 401.26048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=O)NC2=C(C=C(C=C2)Br)C3=NNN=N3

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=O)NC2=C(C=C(C=C2)Br)C3=NNN=N3

InChI

InChI=1S/C17H17BrN6O/c1-2-3-11-4-7-13(8-5-11)19-17(25)20-15-9-6-12(18)10-14(15)16-21-23-24-22-16/h4-10H,2-3H2,1H3,(H2,19,20,25)(H,21,22,23,24)