1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]butan-1-one CAS Name: 1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1-butanone IUPAC Name: 1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]-4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]butan-1-one Formula: C20H20ClN5O4S MolecularWeight: 461.9219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN5O4S/c21-14-6-7-15(16(13-14)26(28)29)24-8-10-25(11-9-24)19(27)5-1-4-18-22-20(23-30-18)17-3-2-12-31-17/h2-3,6-7,12-13H,1,4-5,8-11H2