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

Systemtic Name: 1-[3-(4-bromanylpyrazol-1-yl)propyl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[3-(4-bromopyrazol-1-yl)propyl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[3-(4-bromo-1-pyrazolyl)propyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[3-(4-bromopyrazol-1-yl)propyl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[3-(4-bromopyrazol-1-yl)propyl]-3-(3-nitrophenyl)thiourea Formula: C13H14BrN5O2S MolecularWeight: 384.25156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NCCCN2C=C(C=N2)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NCCCN2C=C(C=N2)Br

InChI

InChI=1S/C13H14BrN5O2S/c14-10-8-16-18(9-10)6-2-5-15-13(22)17-11-3-1-4-12(7-11)19(20)21/h1,3-4,7-9H,2,5-6H2,(H2,15,17,22)