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

Systemtic Name: 1-(1-ethyl-5-methyl-pyrazol-4-yl)-3-[3-(3-nitropyrazol-1-yl)propanoylamino]thiourea hydrochloride Openeye Name: 1-(1-ethyl-5-methyl-pyrazol-4-yl)-3-[3-(3-nitropyrazol-1-yl)propanoylamino]thiourea hydrochloride CAS Name: 1-(1-ethyl-5-methyl-4-pyrazolyl)-3-[[3-(3-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea hydrochloride IUPAC Name: 1-(1-ethyl-5-methylpyrazol-4-yl)-3-[3-(3-nitropyrazol-1-yl)propanoylamino]thiourea hydrochloride Traditional Name: 1-(1-ethyl-5-methyl-pyrazol-4-yl)-3-[3-(3-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=CC(=N2)[N+](=O)[O-])C.Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H18N8O3S.ClH/c1-3-20-9(2)10(8-14-20)15-13(25)17-16-12(22)5-7-19-6-4-11(18-19)21(23)24;/h4,6,8H,3,5,7H2,1-2H3,(H,16,22)(H2,15,17,25);1H