6-[4-ethynyl-2-(1,2,4-triazol-1-ylmethyl)phenoxy]-1-methyl-benzotriazole

Systemtic Name: 6-[4-ethynyl-2-(1,2,4-triazol-1-ylmethyl)phenoxy]-1-methyl-benzotriazole Openeye Name: 6-[4-ethynyl-2-(1,2,4-triazol-1-ylmethyl)phenoxy]-1-methyl-benzotriazole CAS Name: 6-[4-ethynyl-2-(1,2,4-triazol-1-ylmethyl)phenoxy]-1-methylbenzotriazole IUPAC Name: 6-[4-ethynyl-2-(1,2,4-triazol-1-ylmethyl)phenoxy]-1-methylbenzotriazole Traditional Name: 6-[4-ethynyl-2-(1,2,4-triazol-1-ylmethyl)phenoxy]-1-methyl-benzotriazole Formula: C18H14N6O MolecularWeight: 330.34336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C#C)CN4C=NC=N4)N=N1

Isomeric SMILES

CN1C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C#C)CN4C=NC=N4)N=N1

InChI

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