1-(2-pentyl-1,2,3,4-tetrazol-5-yl)-1-phenyl-3-(2,4,6-trimethoxyphenyl)urea

Systemtic Name: 1-(2-pentyl-1,2,3,4-tetrazol-5-yl)-1-phenyl-3-(2,4,6-trimethoxyphenyl)urea Openeye Name: 1-(2-pentyltetrazol-5-yl)-1-phenyl-3-(2,4,6-trimethoxyphenyl)urea CAS Name: 1-(2-pentyl-5-tetrazolyl)-1-phenyl-3-(2,4,6-trimethoxyphenyl)urea IUPAC Name: 1-(2-pentyltetrazol-5-yl)-1-phenyl-3-(2,4,6-trimethoxyphenyl)urea Traditional Name: 1-(2-amyltetrazol-5-yl)-1-phenyl-3-(2,4,6-trimethoxyphenyl)urea Formula: C22H28N6O4 MolecularWeight: 440.49552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1N=C(N=N1)N(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3OC)OC)OC

Isomeric SMILES

CCCCCN1N=C(N=N1)N(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3OC)OC)OC

InChI

InChI=1S/C22H28N6O4/c1-5-6-10-13-27-25-21(24-26-27)28(16-11-8-7-9-12-16)22(29)23-20-18(31-3)14-17(30-2)15-19(20)32-4/h7-9,11-12,14-15H,5-6,10,13H2,1-4H3,(H,23,29)