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

Systemtic Name: 4-[3-(ethoxymethyl)-5-(4-fluorophenyl)-1,2,3-triazol-4-yl]-2-phenylsulfanyl-pyrimidine Openeye Name: 4-[3-(ethoxymethyl)-5-(4-fluorophenyl)triazol-4-yl]-2-phenylsulfanyl-pyrimidine CAS Name: 4-[3-(ethoxymethyl)-5-(4-fluorophenyl)-4-triazolyl]-2-(phenylthio)pyrimidine IUPAC Name: 4-[3-(ethoxymethyl)-5-(4-fluorophenyl)triazol-4-yl]-2-phenylsulfanylpyrimidine Traditional Name: 4-[3-(ethoxymethyl)-5-(4-fluorophenyl)triazol-4-yl]-2-(phenylthio)pyrimidine Formula: C21H18FN5OS MolecularWeight: 407.463923

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=C(N=N1)C2=CC=C(C=C2)F)C3=NC(=NC=C3)SC4=CC=CC=C4

Isomeric SMILES

CCOCN1C(=C(N=N1)C2=CC=C(C=C2)F)C3=NC(=NC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H18FN5OS/c1-2-28-14-27-20(19(25-26-27)15-8-10-16(22)11-9-15)18-12-13-23-21(24-18)29-17-6-4-3-5-7-17/h3-13H,2,14H2,1H3