2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(2-thienylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(2-thenyl)piperazino]ethanone Formula: C16H21N5O3S MolecularWeight: 363.43464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCN(CC2)CC3=CC=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCN(CC2)CC3=CC=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O3S/c1-12-16(21(23)24)13(2)20(17-12)11-15(22)19-7-5-18(6-8-19)10-14-4-3-9-25-14/h3-4,9H,5-8,10-11H2,1-2H3