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

Systemtic Name: 1-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-1-(4-methylphenyl)thiourea Openeye Name: 1-[[2-(5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-1-(p-tolyl)thiourea CAS Name: 1-[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-1-(4-methylphenyl)thiourea IUPAC Name: 1-[[2-(5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-1-(4-methylphenyl)thiourea Traditional Name: 1-[[2-(5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-1-(p-tolyl)thiourea Formula: C14H16N6O3S MolecularWeight: 348.38024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C(=S)N)NC(=O)CN2C(=CC(=N2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)N(C(=S)N)NC(=O)CN2C(=CC(=N2)[N+](=O)[O-])C

InChI

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