1-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]thiourea

Systemtic Name: 1-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]thiourea Openeye Name: [(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]thiourea CAS Name: [(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]thiourea IUPAC Name: [(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]thiourea Traditional Name: [(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]thiourea Formula: C9H8BrN3O2S MolecularWeight: 302.14772

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC(=S)N)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC(=S)N)Br

InChI

InChI=1S/C9H8BrN3O2S/c10-6-2-8-7(14-4-15-8)1-5(6)3-12-13-9(11)16/h1-3H,4H2,(H3,11,13,16)/b12-3+