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

Systemtic Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[2-(4-tert-butylphenoxy)ethylthio]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[2-(4-tert-butylphenoxy)ethylthio]-5-(4-methoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C21H26N4O2S MolecularWeight: 398.52174

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S/c1-21(2,3)16-7-11-18(12-8-16)27-13-14-28-20-24-23-19(25(20)22)15-5-9-17(26-4)10-6-15/h5-12H,13-14,22H2,1-4H3