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

Systemtic Name: 1-(3-chlorophenyl)-1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]thiourea Openeye Name: 1-(3-chlorophenyl)-1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]thiourea CAS Name: 1-(3-chlorophenyl)-1-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea IUPAC Name: 1-(3-chlorophenyl)-1-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]thiourea Traditional Name: 1-(3-chlorophenyl)-1-[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)NN(C2=CC(=CC=C2)Cl)C(=S)N)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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