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

Systemtic Name: 1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-(1-ethyl-5-methyl-pyrazol-4-yl)thiourea hydrochloride Openeye Name: 1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-(1-ethyl-5-methyl-pyrazol-4-yl)thiourea hydrochloride CAS Name: 1-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-(1-ethyl-5-methyl-4-pyrazolyl)thiourea hydrochloride IUPAC Name: 1-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea hydrochloride Traditional Name: 1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-(1-ethyl-5-methyl-pyrazol-4-yl)thiourea hydrochloride Formula: C15H23ClN8O3S MolecularWeight: 430.91292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N8O3S.ClH/c1-5-21-10(3)12(8-16-21)17-15(27)19-18-13(24)6-7-22-11(4)14(23(25)26)9(2)20-22;/h8H,5-7H2,1-4H3,(H,18,24)(H2,17,19,27);1H