1-(2,5-dimethylphenyl)-3-[3-(3-nitropyrazol-1-yl)propanoylamino]thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[3-(3-nitropyrazol-1-yl)propanoylamino]thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[3-(3-nitropyrazol-1-yl)propanoylamino]thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[[3-(3-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[3-(3-nitropyrazol-1-yl)propanoylamino]thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-[3-(3-nitropyrazol-1-yl)propanoylamino]thiourea Formula: C15H18N6O3S MolecularWeight: 362.40682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)CCN2C=CC(=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)CCN2C=CC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O3S/c1-10-3-4-11(2)12(9-10)16-15(25)18-17-14(22)6-8-20-7-5-13(19-20)21(23)24/h3-5,7,9H,6,8H2,1-2H3,(H,17,22)(H2,16,18,25)