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

Systemtic Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(4-tert-butylphenoxy)methyl]-5-(p-tolylmethylsulfanyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-tert-butylphenoxy)methyl]-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(4-tert-butylphenoxy)methyl]-5-[(4-methylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2N)COC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2N)COC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H26N4OS/c1-15-5-7-16(8-6-15)14-27-20-24-23-19(25(20)22)13-26-18-11-9-17(10-12-18)21(2,3)4/h5-12H,13-14,22H2,1-4H3