1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(3-nitrophenyl)thiourea Formula: C15H18BrN5O2S MolecularWeight: 412.30472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrN5O2S/c1-10-14(16)11(2)20(19-10)8-4-7-17-15(24)18-12-5-3-6-13(9-12)21(22)23/h3,5-6,9H,4,7-8H2,1-2H3,(H2,17,18,24)