4-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 4-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(3-fluorobenzyl)thio]-4-p-phenetyl-5-(2-thienyl)-1,2,4-triazole Formula: C21H18FN3OS2 MolecularWeight: 411.515523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)F)C4=CC=CS4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)F)C4=CC=CS4

InChI

InChI=1S/C21H18FN3OS2/c1-2-26-18-10-8-17(9-11-18)25-20(19-7-4-12-27-19)23-24-21(25)28-14-15-5-3-6-16(22)13-15/h3-13H,2,14H2,1H3