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

Systemtic Name: 3-[(4-tert-butylphenoxy)methyl]-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-tert-butylphenoxy)methyl]-5-(1-naphthylmethylsulfanyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-tert-butylphenoxy)methyl]-5-(1-naphthalenylmethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-tert-butylphenoxy)methyl]-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-tert-butylphenoxy)methyl]-5-(1-naphthylmethylthio)-1,2,4-triazol-4-yl]amine Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H26N4OS/c1-24(2,3)19-11-13-20(14-12-19)29-15-22-26-27-23(28(22)25)30-16-18-9-6-8-17-7-4-5-10-21(17)18/h4-14H,15-16,25H2,1-3H3