5-(furan-2-yl)-2-[[(4-nitrophenyl)amino]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(furan-2-yl)-2-[[(4-nitrophenyl)amino]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(2-furyl)-2-[(4-nitroanilino)methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(2-furanyl)-2-[(4-nitroanilino)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(furan-2-yl)-2-[(4-nitroanilino)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(2-furyl)-2-[(4-nitroanilino)methyl]-1H-1,2,4-triazole-3-thione Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=NC(=S)N(N2)CNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)C2=NC(=S)N(N2)CNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O3S/c19-18(20)10-5-3-9(4-6-10)14-8-17-13(22)15-12(16-17)11-2-1-7-21-11/h1-7,14H,8H2,(H,15,16,22)