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

Systemtic Name: 4-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazole Openeye Name: 4-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 4-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazole IUPAC Name: 4-(4-ethoxyphenyl)-3-[(3-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(3-fluorobenzyl)thio]-5-(4-methoxyphenyl)-4-p-phenetyl-1,2,4-triazole Formula: C24H22FN3O2S MolecularWeight: 435.513783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22FN3O2S/c1-3-30-22-13-9-20(10-14-22)28-23(18-7-11-21(29-2)12-8-18)26-27-24(28)31-16-17-5-4-6-19(25)15-17/h4-15H,3,16H2,1-2H3