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

Systemtic Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(3-methoxyphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(4-tert-butylphenoxy)methyl]-5-(m-anisylthio)-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)OCC2=NN=C(N2N)SCC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CC(=CC=C3)OC

InChI

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