2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-ethoxy-phenyl]benzotriazole

Systemtic Name: 2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-ethoxy-phenyl]benzotriazole Openeye Name: 2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-ethoxy-phenyl]benzotriazole CAS Name: 2-[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-2-ethoxyphenyl]benzotriazole IUPAC Name: 2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-ethoxyphenyl]benzotriazole Traditional Name: 2-[5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-2-ethoxy-phenyl]benzotriazole Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CSC2=NC(=CC(=N2)C)C)N3N=C4C=CC=CC4=N3

Isomeric SMILES

CCOC1=C(C=C(C=C1)CSC2=NC(=CC(=N2)C)C)N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C21H21N5OS/c1-4-27-20-10-9-16(13-28-21-22-14(2)11-15(3)23-21)12-19(20)26-24-17-7-5-6-8-18(17)25-26/h5-12H,4,13H2,1-3H3