3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-(2-furyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[2-(4-tert-butylphenoxy)ethylthio]-5-(2-furanyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[2-(4-tert-butylphenoxy)ethylthio]-5-(2-furyl)-4-phenyl-1,2,4-triazole Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C24H25N3O2S/c1-24(2,3)18-11-13-20(14-12-18)28-16-17-30-23-26-25-22(21-10-7-15-29-21)27(23)19-8-5-4-6-9-19/h4-15H,16-17H2,1-3H3