1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(4-ethanoylphenyl)thiourea

Systemtic Name: 1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(4-ethanoylphenyl)thiourea Openeye Name: 1-(4-acetylphenyl)-3-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]thiourea CAS Name: 1-(4-acetylphenyl)-3-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]thiourea IUPAC Name: 1-(4-acetylphenyl)-3-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]thiourea Traditional Name: 1-(4-acetylphenyl)-3-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]thiourea Formula: C17H21BrN4OS MolecularWeight: 409.34384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNC(=S)NC2=CC=C(C=C2)C(=O)C)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCCNC(=S)NC2=CC=C(C=C2)C(=O)C)C)Br

InChI

InChI=1S/C17H21BrN4OS/c1-11-16(18)12(2)22(21-11)10-4-9-19-17(24)20-15-7-5-14(6-8-15)13(3)23/h5-8H,4,9-10H2,1-3H3,(H2,19,20,24)