[4-(2,2-dimethylpropyl)-1H-pyrazol-5-yl]carbamothioylcarbamic acid

Systemtic Name: [4-(2,2-dimethylpropyl)-1H-pyrazol-5-yl]carbamothioylcarbamic acid Openeye Name: [4-(2,2-dimethylpropyl)-1H-pyrazol-5-yl]carbamothioylcarbamic acid CAS Name: [[[4-(2,2-dimethylpropyl)-1H-pyrazol-5-yl]amino]-sulfanylidenemethyl]carbamic acid IUPAC Name: [4-(2,2-dimethylpropyl)-1H-pyrazol-5-yl]carbamothioylcarbamic acid Traditional Name: (4-neopentyl-1H-pyrazol-5-yl)thiocarbamoylcarbamic acid Formula: C10H16N4O2S MolecularWeight: 256.32464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=C(NN=C1)NC(=S)NC(=O)O

Isomeric SMILES

CC(C)(C)CC1=C(NN=C1)NC(=S)NC(=O)O

InChI

InChI=1S/C10H16N4O2S/c1-10(2,3)4-6-5-11-14-7(6)12-8(17)13-9(15)16/h5H,4H2,1-3H3,(H,15,16)(H3,11,12,13,14,17)