1-(1,3-benzodioxol-5-yl)-3-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(4-bromo-3-methyl-1-pyrazolyl)propyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]thiourea Formula: C15H17BrN4O2S MolecularWeight: 397.29008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)CCCNC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=NN(C=C1Br)CCCNC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H17BrN4O2S/c1-10-12(16)8-20(19-10)6-2-5-17-15(23)18-11-3-4-13-14(7-11)22-9-21-13/h3-4,7-8H,2,5-6,9H2,1H3,(H2,17,18,23)