2-tert-butyl-4-chloranyl-5-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridazin-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]pyridazin-3-one Formula: C17H16ClN5O4S MolecularWeight: 421.85804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H16ClN5O4S/c1-17(2,3)22-16(24)14(18)12(8-19-22)28-9-13-20-21-15(27-13)10-4-6-11(7-5-10)23(25)26/h4-8H,9H2,1-3H3