3-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole Formula: C22H18FN3OS MolecularWeight: 391.461223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN3OS/c1-27-20-13-11-19(12-14-20)26-21(17-7-9-18(23)10-8-17)24-25-22(26)28-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3