1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C16H20BrN5O3S MolecularWeight: 442.3307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCCNC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C)Br

InChI

InChI=1S/C16H20BrN5O3S/c1-10-15(17)11(2)21(20-10)8-4-7-18-16(26)19-13-6-5-12(22(23)24)9-14(13)25-3/h5-6,9H,4,7-8H2,1-3H3,(H2,18,19,26)