1,1-bis(benzotriazol-1-ylmethyl)-3-phenyl-urea

Systemtic Name: 1,1-bis(benzotriazol-1-ylmethyl)-3-phenyl-urea Openeye Name: 1,1-bis(benzotriazol-1-ylmethyl)-3-phenyl-urea CAS Name: 1,1-bis(1-benzotriazolylmethyl)-3-phenylurea IUPAC Name: 1,1-bis(benzotriazol-1-ylmethyl)-3-phenylurea Traditional Name: 1,1-bis(benzotriazol-1-ylmethyl)-3-phenyl-urea Formula: C21H18N8O MolecularWeight: 398.42062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)N(CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)N(CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H18N8O/c30-21(22-16-8-2-1-3-9-16)27(14-28-19-12-6-4-10-17(19)23-25-28)15-29-20-13-7-5-11-18(20)24-26-29/h1-13H,14-15H2,(H,22,30)