3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[2-(4-tert-butylphenoxy)ethylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[2-(4-tert-butylphenoxy)ethylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCSC2=NN=C(N2N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCSC2=NN=C(N2N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H28N4O3S/c1-22(2,3)16-7-9-17(10-8-16)29-12-13-30-21-25-24-20(26(21)23)15-6-11-18(27-4)19(14-15)28-5/h6-11,14H,12-13,23H2,1-5H3