1-methyl-3-[3-(3-nitropyrazol-1-yl)propanoylamino]thiourea

Systemtic Name: 1-methyl-3-[3-(3-nitropyrazol-1-yl)propanoylamino]thiourea Openeye Name: 1-methyl-3-[3-(3-nitropyrazol-1-yl)propanoylamino]thiourea CAS Name: 1-methyl-3-[[3-(3-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea IUPAC Name: 1-methyl-3-[3-(3-nitropyrazol-1-yl)propanoylamino]thiourea Traditional Name: 1-methyl-3-[3-(3-nitropyrazol-1-yl)propanoylamino]thiourea Formula: C8H12N6O3S MolecularWeight: 272.28428

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NNC(=O)CCN1C=CC(=N1)[N+](=O)[O-]

Isomeric SMILES

CNC(=S)NNC(=O)CCN1C=CC(=N1)[N+](=O)[O-]

InChI

InChI=1S/C8H12N6O3S/c1-9-8(18)11-10-7(15)3-5-13-4-2-6(12-13)14(16)17/h2,4H,3,5H2,1H3,(H,10,15)(H2,9,11,18)