4-[5-(4-chlorophenyl)-1-(ethoxymethyl)-1,2,3-triazol-4-yl]-2-phenoxy-pyrimidine

Systemtic Name: 4-[5-(4-chlorophenyl)-1-(ethoxymethyl)-1,2,3-triazol-4-yl]-2-phenoxy-pyrimidine Openeye Name: 4-[5-(4-chlorophenyl)-1-(ethoxymethyl)triazol-4-yl]-2-phenoxy-pyrimidine CAS Name: 4-[5-(4-chlorophenyl)-1-(ethoxymethyl)-4-triazolyl]-2-phenoxypyrimidine IUPAC Name: 4-[5-(4-chlorophenyl)-1-(ethoxymethyl)triazol-4-yl]-2-phenoxypyrimidine Traditional Name: 4-[5-(4-chlorophenyl)-1-(ethoxymethyl)triazol-4-yl]-2-phenoxy-pyrimidine Formula: C21H18ClN5O2 MolecularWeight: 407.85292

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=C(N=N1)C2=NC(=NC=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOCN1C(=C(N=N1)C2=NC(=NC=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN5O2/c1-2-28-14-27-20(15-8-10-16(22)11-9-15)19(25-26-27)18-12-13-23-21(24-18)29-17-6-4-3-5-7-17/h3-13H,2,14H2,1H3