1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one

Systemtic Name: 1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one Openeye Name: 1-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]butan-1-one CAS Name: 1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1-butanone IUPAC Name: 1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one Traditional Name: 1-[4-(6-nitro-3-pyridyl)piperazino]-4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]butan-1-one Formula: C19H20N6O4S MolecularWeight: 428.4649

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)CCCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)CCCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C19H20N6O4S/c26-18(5-1-4-17-21-19(22-29-17)15-3-2-12-30-15)24-10-8-23(9-11-24)14-6-7-16(20-13-14)25(27)28/h2-3,6-7,12-13H,1,4-5,8-11H2