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

Systemtic Name: 3-[(2-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(2-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[(2-nitrophenyl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(2-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(2-nitrobenzyl)thio]-1H-1,2,4-triazol-5-yl]amine Formula: C9H9N5O2S MolecularWeight: 251.26506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NNC(=N2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NNC(=N2)N)[N+](=O)[O-]

InChI

InChI=1S/C9H9N5O2S/c10-8-11-9(13-12-8)17-5-6-3-1-2-4-7(6)14(15)16/h1-4H,5H2,(H3,10,11,12,13)