1-(4-chlorophenyl)-1-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-(4-chlorophenyl)-1-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]thiourea Openeye Name: 1-(4-chlorophenyl)-1-[[2-(5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]thiourea CAS Name: 1-(4-chlorophenyl)-1-[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(4-chlorophenyl)-1-[[2-(5-methyl-3-nitropyrazol-1-yl)acetyl]amino]thiourea Traditional Name: 1-(4-chlorophenyl)-1-[[2-(5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]thiourea Formula: C13H13ClN6O3S MolecularWeight: 368.79872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN6O3S/c1-8-6-11(20(22)23)16-18(8)7-12(21)17-19(13(15)24)10-4-2-9(14)3-5-10/h2-6H,7H2,1H3,(H2,15,24)(H,17,21)