1-methyl-3-[3-(4-nitropyrazol-1-yl)propanoylamino]thiourea

Systemtic Name: 1-methyl-3-[3-(4-nitropyrazol-1-yl)propanoylamino]thiourea Openeye Name: 1-methyl-3-[3-(4-nitropyrazol-1-yl)propanoylamino]thiourea CAS Name: 1-methyl-3-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea IUPAC Name: 1-methyl-3-[3-(4-nitropyrazol-1-yl)propanoylamino]thiourea Traditional Name: 1-methyl-3-[3-(4-nitropyrazol-1-yl)propanoylamino]thiourea Formula: C8H12N6O3S MolecularWeight: 272.28428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NNC(=O)CCN1C=C(C=N1)[N+](=O)[O-]

Isomeric SMILES

CNC(=S)NNC(=O)CCN1C=C(C=N1)[N+](=O)[O-]

InChI

InChI=1S/C8H12N6O3S/c1-9-8(18)12-11-7(15)2-3-13-5-6(4-10-13)14(16)17/h4-5H,2-3H2,1H3,(H,11,15)(H2,9,12,18)