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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-tert-butylbenzyl)thio]-5-(2-methoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C20H24N4OS MolecularWeight: 368.49576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=CC=C3OC

InChI

InChI=1S/C20H24N4OS/c1-20(2,3)15-11-9-14(10-12-15)13-26-19-23-22-18(24(19)21)16-7-5-6-8-17(16)25-4/h5-12H,13,21H2,1-4H3