1-(2-chloranyl-5-nitro-phenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[3-(3,5-dimethyl-1-pyrazolyl)propyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiourea Formula: C15H18ClN5O2S MolecularWeight: 367.85372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN5O2S/c1-10-8-11(2)20(19-10)7-3-6-17-15(24)18-14-9-12(21(22)23)4-5-13(14)16/h4-5,8-9H,3,6-7H2,1-2H3,(H2,17,18,24)