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

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[[2-(3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea Formula: C14H15ClN6O3S MolecularWeight: 382.8253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C14H15ClN6O3S/c1-8-5-9(2)20(19-8)7-13(22)17-18-14(25)16-12-6-10(21(23)24)3-4-11(12)15/h3-6H,7H2,1-2H3,(H,17,22)(H2,16,18,25)