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

Systemtic Name: 4-ethynyl-1-methyl-5-[2-(1,2,4-triazol-1-ylmethyl)phenoxy]benzotriazole Openeye Name: 4-ethynyl-1-methyl-5-[2-(1,2,4-triazol-1-ylmethyl)phenoxy]benzotriazole CAS Name: 4-ethynyl-1-methyl-5-[2-(1,2,4-triazol-1-ylmethyl)phenoxy]benzotriazole IUPAC Name: 4-ethynyl-1-methyl-5-[2-(1,2,4-triazol-1-ylmethyl)phenoxy]benzotriazole Traditional Name: 4-ethynyl-1-methyl-5-[2-(1,2,4-triazol-1-ylmethyl)phenoxy]benzotriazole Formula: C18H14N6O MolecularWeight: 330.34336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N6O/c1-3-14-17(9-8-15-18(14)21-22-23(15)2)25-16-7-5-4-6-13(16)10-24-12-19-11-20-24/h1,4-9,11-12H,10H2,2H3