1-[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]-3-(4-nitrophenyl)thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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