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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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