1-(4-iodophenyl)-3-(1-methylbenzotriazol-5-yl)urea

Systemtic Name: 1-(4-iodophenyl)-3-(1-methylbenzotriazol-5-yl)urea Openeye Name: 1-(4-iodophenyl)-3-(1-methylbenzotriazol-5-yl)urea CAS Name: 1-(4-iodophenyl)-3-(1-methyl-5-benzotriazolyl)urea IUPAC Name: 1-(4-iodophenyl)-3-(1-methylbenzotriazol-5-yl)urea Traditional Name: 1-(4-iodophenyl)-3-(1-methylbenzotriazol-5-yl)urea Formula: C14H12IN5O MolecularWeight: 393.18245

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)I)N=N1

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)I)N=N1

InChI

InChI=1S/C14H12IN5O/c1-20-13-7-6-11(8-12(13)18-19-20)17-14(21)16-10-4-2-9(15)3-5-10/h2-8H,1H3,(H2,16,17,21)