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

Systemtic Name: 4-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C16H11N5O4S MolecularWeight: 369.35464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N5O4S/c22-21(23)12-7-14-13(24-9-25-14)6-11(12)8-17-20-15(18-19-16(20)26)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,26)/b17-8+