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

Systemtic Name: 1-[2-(4-bromanylpyrazol-1-yl)ethyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[2-(4-bromopyrazol-1-yl)ethyl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[2-(4-bromo-1-pyrazolyl)ethyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[2-(4-bromopyrazol-1-yl)ethyl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[2-(4-bromopyrazol-1-yl)ethyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C13H14BrN5O3S MolecularWeight: 400.25096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCCN2C=C(C=N2)Br

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCCN2C=C(C=N2)Br

InChI

InChI=1S/C13H14BrN5O3S/c1-22-12-6-10(19(20)21)2-3-11(12)17-13(23)15-4-5-18-8-9(14)7-16-18/h2-3,6-8H,4-5H2,1H3,(H2,15,17,23)