1-[3-(4-bromanylpyrazol-1-yl)propyl]-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-[3-(4-bromanylpyrazol-1-yl)propyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[3-(4-bromopyrazol-1-yl)propyl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[3-(4-bromo-1-pyrazolyl)propyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[3-(4-bromopyrazol-1-yl)propyl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[3-(4-bromopyrazol-1-yl)propyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C14H16BrN5O3S MolecularWeight: 414.27754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCCCN2C=C(C=N2)Br

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCCCN2C=C(C=N2)Br

InChI

InChI=1S/C14H16BrN5O3S/c1-23-13-7-11(20(21)22)3-4-12(13)18-14(24)16-5-2-6-19-9-10(15)8-17-19/h3-4,7-9H,2,5-6H2,1H3,(H2,16,18,24)