3-tert-butyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-tert-butyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-tert-butyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-tert-butyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-tert-butyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-tert-butyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N1N)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN=C(N1N)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O2S/c1-13(2,3)11-15-16-12(17(11)14)21-8-9-4-6-10(7-5-9)18(19)20/h4-7H,8,14H2,1-3H3