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1-[(E)-(4-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea

1-[(E)-(4-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea

Systemtic Name:1-[(E)-(4-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea
Openeye Name:[(E)-(4-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea
CAS Name:[(E)-(4-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea
IUPAC Name:[(E)-(4-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea
Traditional Name:[(E)-(4-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)12-11-3-5-1-2-6-8(17-4-16-6)7(5)13(14)15/h1-3H,4H2,(H3,10,12,18)/b11-3+


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