3-(aminomethyl)-4-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(aminomethyl)-4-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(aminomethyl)-4-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(aminomethyl)-4-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(aminomethyl)-4-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(aminomethyl)-4-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione Formula: C9H9N5O2S MolecularWeight: 251.26506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=NNC2=S)CN)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C(=NNC2=S)CN)[N+](=O)[O-]

InChI

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