3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(2-imidazo[1,2-a]pyridinylmethylthio)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(imidazo[1,2-a]pyridin-2-ylmethylthio)-1-[4-(4-nitrophenyl)piperazino]propan-1-one Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCSCC3=CN4C=CC=CC4=N3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCSCC3=CN4C=CC=CC4=N3

InChI

InChI=1S/C21H23N5O3S/c27-21(8-14-30-16-17-15-25-9-2-1-3-20(25)22-17)24-12-10-23(11-13-24)18-4-6-19(7-5-18)26(28)29/h1-7,9,15H,8,10-14,16H2