1-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea

Systemtic Name: 1-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Openeye Name: [(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea CAS Name: [(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea IUPAC Name: [(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Traditional Name: [(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea Formula: C9H8N4O4S MolecularWeight: 268.24922

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC(=S)N)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N\NC(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O4S/c10-9(18)12-11-3-5-1-7-8(17-4-16-7)2-6(5)13(14)15/h1-3H,4H2,(H3,10,12,18)/b11-3-