4-[3-(ethoxymethyl)-5-(4-fluorophenyl)-1,2,3-triazol-4-yl]-2-methylsulfanyl-pyrimidine

Systemtic Name: 4-[3-(ethoxymethyl)-5-(4-fluorophenyl)-1,2,3-triazol-4-yl]-2-methylsulfanyl-pyrimidine Openeye Name: 4-[3-(ethoxymethyl)-5-(4-fluorophenyl)triazol-4-yl]-2-methylsulfanyl-pyrimidine CAS Name: 4-[3-(ethoxymethyl)-5-(4-fluorophenyl)-4-triazolyl]-2-(methylthio)pyrimidine IUPAC Name: 4-[3-(ethoxymethyl)-5-(4-fluorophenyl)triazol-4-yl]-2-methylsulfanylpyrimidine Traditional Name: 4-[3-(ethoxymethyl)-5-(4-fluorophenyl)triazol-4-yl]-2-(methylthio)pyrimidine Formula: C16H16FN5OS MolecularWeight: 345.394543

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=C(N=N1)C2=CC=C(C=C2)F)C3=NC(=NC=C3)SC

Isomeric SMILES

CCOCN1C(=C(N=N1)C2=CC=C(C=C2)F)C3=NC(=NC=C3)SC

InChI

InChI=1S/C16H16FN5OS/c1-3-23-10-22-15(13-8-9-18-16(19-13)24-2)14(20-21-22)11-4-6-12(17)7-5-11/h4-9H,3,10H2,1-2H3