1-(4-methylphenyl)-3-[3-(4-nitropyrazol-1-yl)propanoylamino]thiourea

Systemtic Name: 1-(4-methylphenyl)-3-[3-(4-nitropyrazol-1-yl)propanoylamino]thiourea Openeye Name: 1-[3-(4-nitropyrazol-1-yl)propanoylamino]-3-(p-tolyl)thiourea CAS Name: 1-(4-methylphenyl)-3-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea IUPAC Name: 1-(4-methylphenyl)-3-[3-(4-nitropyrazol-1-yl)propanoylamino]thiourea Traditional Name: 1-[3-(4-nitropyrazol-1-yl)propanoylamino]-3-(p-tolyl)thiourea Formula: C14H16N6O3S MolecularWeight: 348.38024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N6O3S/c1-10-2-4-11(5-3-10)16-14(24)18-17-13(21)6-7-19-9-12(8-15-19)20(22)23/h2-5,8-9H,6-7H2,1H3,(H,17,21)(H2,16,18,24)