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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=CN2N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=CN2N

InChI

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