1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-3-phenyl-thiourea

Systemtic Name: 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-3-phenyl-thiourea Openeye Name: 1-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-3-phenyl-thiourea CAS Name: 1-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-3-phenylthiourea IUPAC Name: 1-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-3-phenylthiourea Traditional Name: 1-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-3-phenyl-thiourea Formula: C14H16N6O3S MolecularWeight: 348.38024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NNC(=S)NC2=CC=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NNC(=S)NC2=CC=CC=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H16N6O3S/c1-9-13(20(22)23)10(2)19(18-9)8-12(21)16-17-14(24)15-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,16,21)(H2,15,17,24)