2-[[5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethyl)ethanamide

Systemtic Name: 2-[[5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[[5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide CAS Name: 2-[[5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[[5-(4-ethoxyphenyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide Traditional Name: 2-[[4-(2-fluorophenyl)-5-p-phenetyl-1,2,4-triazol-3-yl]thio]-N-(2-methoxyethyl)acetamide Formula: C21H23FN4O3S MolecularWeight: 430.495723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3F)SCC(=O)NCCOC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3F)SCC(=O)NCCOC

InChI

InChI=1S/C21H23FN4O3S/c1-3-29-16-10-8-15(9-11-16)20-24-25-21(30-14-19(27)23-12-13-28-2)26(20)18-7-5-4-6-17(18)22/h4-11H,3,12-14H2,1-2H3,(H,23,27)