ethyl 2-[(6-nitroindazol-1-yl)methylsulfanyl]ethanoate

Systemtic Name: ethyl 2-[(6-nitroindazol-1-yl)methylsulfanyl]ethanoate Openeye Name: ethyl 2-[(6-nitroindazol-1-yl)methylsulfanyl]acetate CAS Name: 2-[(6-nitro-1-indazolyl)methylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(6-nitroindazol-1-yl)methylsulfanyl]acetate Traditional Name: 2-[(6-nitroindazol-1-yl)methylthio]acetic acid ethyl ester Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCN1C2=C(C=CC(=C2)[N+](=O)[O-])C=N1

Isomeric SMILES

CCOC(=O)CSCN1C2=C(C=CC(=C2)[N+](=O)[O-])C=N1

InChI

InChI=1S/C12H13N3O4S/c1-2-19-12(16)7-20-8-14-11-5-10(15(17)18)4-3-9(11)6-13-14/h3-6H,2,7-8H2,1H3