1-cyclopropyl-3-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]thiourea

Systemtic Name: 1-cyclopropyl-3-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]thiourea Openeye Name: 1-cyclopropyl-3-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]thiourea CAS Name: 1-cyclopropyl-3-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea IUPAC Name: 1-cyclopropyl-3-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]thiourea Traditional Name: 1-cyclopropyl-3-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]thiourea Formula: C12H18N6O3S MolecularWeight: 326.37472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NNC(=S)NC2CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NNC(=S)NC2CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C12H18N6O3S/c1-7-11(18(20)21)8(2)17(16-7)6-5-10(19)14-15-12(22)13-9-3-4-9/h9H,3-6H2,1-2H3,(H,14,19)(H2,13,15,22)