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

Systemtic Name: 1-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-3-(4-methylphenyl)thiourea Openeye Name: 1-[[2-(5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-3-(p-tolyl)thiourea CAS Name: 1-[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-3-(4-methylphenyl)thiourea IUPAC Name: 1-[[2-(5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-3-(4-methylphenyl)thiourea Traditional Name: 1-[[2-(5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-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)CN2C(=CC(=N2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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