1,2,5-Thiadiazol-3-ol, 4-(4-morpholinyl)-, 3-(4-nitrobenzoate)

CAS Registry Number®

501104-17-2
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CAS Name

1,2,5-Thiadiazol-3-ol, 4-(4-morpholinyl)-, 3-(4-nitrobenzoate)

Molecular Formula

C13H12N4O5S

Molecular Mass

336.32

Cite this Page

1,2,5-Thiadiazol-3-ol, 4-(4-morpholinyl)-, 3-(4-nitrobenzoate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=501104-17-2 (retrieved 2024-09-07) (CAS RN: 501104-17-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H12N4O5S/c18-13(9-1-3-10(4-2-9)17(19)20)22-12-11(14-23-15-12)16-5-7-21-8-6-16/h1-4H,5-8H2

InChIKey

InChIKey=LNCIABAARRBESH-UHFFFAOYSA-N

SMILES

O(C(=O)C1=CC=C(N(=O)=O)C=C1)C=2C(=NSN2)N3CCOCC3

Canonical SMILES

O=C(OC1=NSN=C1N2CCOCC2)C3=CC=C(C=C3)N(=O)=O

Other Names for this Substance

  • 1,2,5-Thiadiazol-3-ol, 4-(4-morpholinyl)-, 3-(4-nitrobenzoate)
  • 1,2,5-Thiadiazol-3-ol, 4-(4-morpholinyl)-, 4-nitrobenzoate (ester)