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

Systemtic Name: 1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(3,5-dimethoxyphenyl)thiourea Openeye Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(3,5-dimethoxyphenyl)thiourea CAS Name: 1-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-3-(3,5-dimethoxyphenyl)thiourea IUPAC Name: 1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(3,5-dimethoxyphenyl)thiourea Traditional Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(3,5-dimethoxyphenyl)thiourea Formula: C17H23BrN4O2S MolecularWeight: 427.35912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23BrN4O2S/c1-11-16(18)12(2)22(21-11)7-5-6-19-17(25)20-13-8-14(23-3)10-15(9-13)24-4/h8-10H,5-7H2,1-4H3,(H2,19,20,25)