1-[3-(4-bromanylpyrazol-1-yl)propyl]-3-(2,5-dimethoxyphenyl)thiourea

Systemtic Name: 1-[3-(4-bromanylpyrazol-1-yl)propyl]-3-(2,5-dimethoxyphenyl)thiourea Openeye Name: 1-[3-(4-bromopyrazol-1-yl)propyl]-3-(2,5-dimethoxyphenyl)thiourea CAS Name: 1-[3-(4-bromo-1-pyrazolyl)propyl]-3-(2,5-dimethoxyphenyl)thiourea IUPAC Name: 1-[3-(4-bromopyrazol-1-yl)propyl]-3-(2,5-dimethoxyphenyl)thiourea Traditional Name: 1-[3-(4-bromopyrazol-1-yl)propyl]-3-(2,5-dimethoxyphenyl)thiourea Formula: C15H19BrN4O2S MolecularWeight: 399.30596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)NCCCN2C=C(C=N2)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)NCCCN2C=C(C=N2)Br

InChI

InChI=1S/C15H19BrN4O2S/c1-21-12-4-5-14(22-2)13(8-12)19-15(23)17-6-3-7-20-10-11(16)9-18-20/h4-5,8-10H,3,6-7H2,1-2H3,(H2,17,19,23)