1-(4-chlorophenyl)-3-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]thiourea CAS Name: 1-(4-chlorophenyl)-3-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]thiourea Formula: C15H17ClN6O3S MolecularWeight: 396.85188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NNC(=S)NC2=CC=C(C=C2)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NNC(=S)NC2=CC=C(C=C2)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C15H17ClN6O3S/c1-9-14(22(24)25)10(2)21(20-9)8-7-13(23)18-19-15(26)17-12-5-3-11(16)4-6-12/h3-6H,7-8H2,1-2H3,(H,18,23)(H2,17,19,26)