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

Systemtic Name: 1-[2-(4-bromanylpyrazol-1-yl)ethyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[2-(4-bromopyrazol-1-yl)ethyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[2-(4-bromo-1-pyrazolyl)ethyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[2-(4-bromopyrazol-1-yl)ethyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[2-(4-bromopyrazol-1-yl)ethyl]-3-(4-nitrophenyl)thiourea Formula: C12H12BrN5O2S MolecularWeight: 370.22498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NCCN2C=C(C=N2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NCCN2C=C(C=N2)Br)[N+](=O)[O-]

InChI

InChI=1S/C12H12BrN5O2S/c13-9-7-15-17(8-9)6-5-14-12(21)16-10-1-3-11(4-2-10)18(19)20/h1-4,7-8H,5-6H2,(H2,14,16,21)