1-[2-(4-bromanylpyrazol-1-yl)ethyl]-3-(4-ethanoylphenyl)thiourea

Systemtic Name: 1-[2-(4-bromanylpyrazol-1-yl)ethyl]-3-(4-ethanoylphenyl)thiourea Openeye Name: 1-(4-acetylphenyl)-3-[2-(4-bromopyrazol-1-yl)ethyl]thiourea CAS Name: 1-(4-acetylphenyl)-3-[2-(4-bromo-1-pyrazolyl)ethyl]thiourea IUPAC Name: 1-(4-acetylphenyl)-3-[2-(4-bromopyrazol-1-yl)ethyl]thiourea Traditional Name: 1-(4-acetylphenyl)-3-[2-(4-bromopyrazol-1-yl)ethyl]thiourea Formula: C14H15BrN4OS MolecularWeight: 367.2641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NCCN2C=C(C=N2)Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NCCN2C=C(C=N2)Br

InChI

InChI=1S/C14H15BrN4OS/c1-10(20)11-2-4-13(5-3-11)18-14(21)16-6-7-19-9-12(15)8-17-19/h2-5,8-9H,6-7H2,1H3,(H2,16,18,21)