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

Systemtic Name: 3-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-ethyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-ethyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C11H13N5O2S MolecularWeight: 279.31822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1N)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H13N5O2S/c1-2-10-13-14-11(15(10)12)19-7-8-3-5-9(6-4-8)16(17)18/h3-6H,2,7,12H2,1H3