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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[(4-tert-butylphenyl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(4-tert-butylbenzyl)thio]-1H-1,2,4-triazol-5-yl]amine Formula: C13H18N4S MolecularWeight: 262.37382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NNC(=N2)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NNC(=N2)N

InChI

InChI=1S/C13H18N4S/c1-13(2,3)10-6-4-9(5-7-10)8-18-12-15-11(14)16-17-12/h4-7H,8H2,1-3H3,(H3,14,15,16,17)