1-(4-chlorophenyl)-3-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonylamino]thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonylamino]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)amino]thiourea CAS Name: 1-(4-chlorophenyl)-3-[[(2,5-dimethyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[(2,5-dimethyl-4-nitropyrazole-3-carbonyl)amino]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)amino]thiourea Formula: C13H13ClN6O3S MolecularWeight: 368.79872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NNC(=S)NC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NNC(=S)NC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C13H13ClN6O3S/c1-7-10(20(22)23)11(19(2)18-7)12(21)16-17-13(24)15-9-5-3-8(14)4-6-9/h3-6H,1-2H3,(H,16,21)(H2,15,17,24)