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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(4-bromanylpyrazol-1-yl)propyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(4-bromopyrazol-1-yl)propyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(4-bromo-1-pyrazolyl)propyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(4-bromopyrazol-1-yl)propyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(4-bromopyrazol-1-yl)propyl]thiourea Formula: C14H15BrN4O2S MolecularWeight: 383.2635

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NCCCN3C=C(C=N3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NCCCN3C=C(C=N3)Br

InChI

InChI=1S/C14H15BrN4O2S/c15-10-7-17-19(8-10)5-1-4-16-14(22)18-11-2-3-12-13(6-11)21-9-20-12/h2-3,6-8H,1,4-5,9H2,(H2,16,18,22)