1-(1-ethyl-5-methyl-pyrazol-4-yl)-3-[3-(4-nitropyrazol-1-yl)propanoylamino]thiourea hydrochloride

Systemtic Name: 1-(1-ethyl-5-methyl-pyrazol-4-yl)-3-[3-(4-nitropyrazol-1-yl)propanoylamino]thiourea hydrochloride Openeye Name: 1-(1-ethyl-5-methyl-pyrazol-4-yl)-3-[3-(4-nitropyrazol-1-yl)propanoylamino]thiourea hydrochloride CAS Name: 1-(1-ethyl-5-methyl-4-pyrazolyl)-3-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea hydrochloride IUPAC Name: 1-(1-ethyl-5-methylpyrazol-4-yl)-3-[3-(4-nitropyrazol-1-yl)propanoylamino]thiourea hydrochloride Traditional Name: 1-(1-ethyl-5-methyl-pyrazol-4-yl)-3-[3-(4-nitropyrazol-1-yl)propanoylamino]thiourea hydrochloride Formula: C13H19ClN8O3S MolecularWeight: 402.85976

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NC(=S)NNC(=O)CCN2C=C(C=N2)[N+](=O)[O-])C.Cl

Isomeric SMILES

CCN1C(=C(C=N1)NC(=S)NNC(=O)CCN2C=C(C=N2)[N+](=O)[O-])C.Cl

InChI

InChI=1S/C13H18N8O3S.ClH/c1-3-20-9(2)11(7-15-20)16-13(25)18-17-12(22)4-5-19-8-10(6-14-19)21(23)24;/h6-8H,3-5H2,1-2H3,(H,17,22)(H2,16,18,25);1H