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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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