1-(1,3-benzodioxol-5-yl)-3-[2-(4-bromanylpyrazol-1-yl)ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-bromanylpyrazol-1-yl)ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-bromopyrazol-1-yl)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-bromo-1-pyrazolyl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-bromopyrazol-1-yl)ethyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-bromopyrazol-1-yl)ethyl]thiourea Formula: C13H13BrN4O2S MolecularWeight: 369.23692

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NCCN3C=C(C=N3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NCCN3C=C(C=N3)Br

InChI

InChI=1S/C13H13BrN4O2S/c14-9-6-16-18(7-9)4-3-15-13(21)17-10-1-2-11-12(5-10)20-8-19-11/h1-2,5-7H,3-4,8H2,(H2,15,17,21)