4-[(1-Methyl-1H-tetrazol-5-yl)thio]-3-nitrobenzoic acid

CAS Registry Number®

565194-76-5

CAS Name

4-[(1-Methyl-1H-tetrazol-5-yl)thio]-3-nitrobenzoic acid

Molecular Formula

C9H7N5O4S

Molecular Mass

281.25

Cite this Page

4-[(1-Methyl-1H-tetrazol-5-yl)thio]-3-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=565194-76-5 (retrieved 2024-12-12) (CAS RN: 565194-76-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H7N5O4S/c1-13-9(10-11-12-13)19-7-3-2-5(8(15)16)4-6(7)14(17)18/h2-4H,1H3,(H,15,16)

InChIKey

InChIKey=ARCIDFHGDQRFMG-UHFFFAOYSA-N

SMILES

S(C1=C(N(=O)=O)C=C(C(O)=O)C=C1)C=2N(C)N=NN2

Canonical SMILES

O=C(O)C1=CC=C(SC2=NN=NN2C)C(=C1)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 4-[(1-methyl-1H-tetrazol-5-yl)thio]-3-nitro-
  • 4-[(1-Methyl-1H-tetrazol-5-yl)thio]-3-nitrobenzoic acid

CAS INSIGHTSTM
Abstract molecules design, Atoms, Medical background