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

Systemtic Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-4-phenyl-5-(p-tolylsulfonylmethyl)-1,2,4-triazole CAS Name: 3-[2-(4-tert-butylphenoxy)ethylthio]-5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[2-(4-tert-butylphenoxy)ethylthio]-4-phenyl-5-(tosylmethyl)-1,2,4-triazole Formula: C28H31N3O3S2 MolecularWeight: 521.69404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2C3=CC=CC=C3)SCCOC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2C3=CC=CC=C3)SCCOC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H31N3O3S2/c1-21-10-16-25(17-11-21)36(32,33)20-26-29-30-27(31(26)23-8-6-5-7-9-23)35-19-18-34-24-14-12-22(13-15-24)28(2,3)4/h5-17H,18-20H2,1-4H3