2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S/c1-13-17(14(2)26-19-13)11-27-12-18(23)21-9-7-20(8-10-21)15-3-5-16(6-4-15)22(24)25/h3-6H,7-12H2,1-2H3