1-(4-methoxyphenyl)-1-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-(4-methoxyphenyl)-1-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]thiourea Openeye Name: 1-(4-methoxyphenyl)-1-[[2-(5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]thiourea CAS Name: 1-(4-methoxyphenyl)-1-[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(4-methoxyphenyl)-1-[[2-(5-methyl-3-nitropyrazol-1-yl)acetyl]amino]thiourea Traditional Name: 1-(4-methoxyphenyl)-1-[[2-(5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]thiourea Formula: C14H16N6O4S MolecularWeight: 364.37964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NN(C2=CC=C(C=C2)OC)C(=S)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC(=O)NN(C2=CC=C(C=C2)OC)C(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C14H16N6O4S/c1-9-7-12(20(22)23)16-18(9)8-13(21)17-19(14(15)25)10-3-5-11(24-2)6-4-10/h3-7H,8H2,1-2H3,(H2,15,25)(H,17,21)