4-iodanyl-1-methyl-5-[2-(1,2,4-triazol-1-ylmethyl)phenoxy]benzotriazole

Systemtic Name: 4-iodanyl-1-methyl-5-[2-(1,2,4-triazol-1-ylmethyl)phenoxy]benzotriazole Openeye Name: 4-iodo-1-methyl-5-[2-(1,2,4-triazol-1-ylmethyl)phenoxy]benzotriazole CAS Name: 4-iodo-1-methyl-5-[2-(1,2,4-triazol-1-ylmethyl)phenoxy]benzotriazole IUPAC Name: 4-iodo-1-methyl-5-[2-(1,2,4-triazol-1-ylmethyl)phenoxy]benzotriazole Traditional Name: 4-iodo-1-methyl-5-[2-(1,2,4-triazol-1-ylmethyl)phenoxy]benzotriazole Formula: C16H13IN6O MolecularWeight: 432.21849

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=C(C=C2)OC3=CC=CC=C3CN4C=NC=N4)I)N=N1

Isomeric SMILES

CN1C2=C(C(=C(C=C2)OC3=CC=CC=C3CN4C=NC=N4)I)N=N1

InChI

InChI=1S/C16H13IN6O/c1-22-12-6-7-14(15(17)16(12)20-21-22)24-13-5-3-2-4-11(13)8-23-10-18-9-19-23/h2-7,9-10H,8H2,1H3