4-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-(2-pyridinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C15H10N6O4S MolecularWeight: 370.3427

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NN3C(=NNC3=S)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/N3C(=NNC3=S)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C15H10N6O4S/c22-21(23)11-6-13-12(24-8-25-13)5-9(11)7-17-20-14(18-19-15(20)26)10-3-1-2-4-16-10/h1-7H,8H2,(H,19,26)/b17-7+