3-[(4-fluorophenyl)methyl]-4-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4-fluorophenyl)methyl]-4-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4-fluorophenyl)methyl]-4-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-fluorophenyl)methyl]-4-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-fluorophenyl)methyl]-4-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-fluorobenzyl)-4-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-1H-1,2,4-triazole-5-thione Formula: C17H12FN5O4S MolecularWeight: 401.371683

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NN3C(=NNC3=S)CC4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N\N3C(=NNC3=S)CC4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C17H12FN5O4S/c18-12-3-1-10(2-4-12)5-16-20-21-17(28)22(16)19-8-11-6-14-15(27-9-26-14)7-13(11)23(24)25/h1-4,6-8H,5,9H2,(H,21,28)/b19-8-