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

Systemtic Name: 1-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[[2-(5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-3-(4-nitrophenyl)thiourea CAS Name: 1-[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[[2-(5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[[2-(5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-3-(4-nitrophenyl)thiourea Formula: C13H13N7O5S MolecularWeight: 379.35122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N7O5S/c1-8-6-11(20(24)25)17-18(8)7-12(21)15-16-13(26)14-9-2-4-10(5-3-9)19(22)23/h2-6H,7H2,1H3,(H,15,21)(H2,14,16,26)