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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=CN2N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=CN2N)[N+](=O)[O-]

InChI

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