![Chemical structure of 2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitrobenzoic acid, CAS 393126-60-8](https://api.angenesci.com/structure/720/393126-60-8.png)
| CAS Number | 393126-60-8 |
| Catalog Number | AG019I2C |
| Chemical Name | 2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitrobenzoic acid |
| IUPAC Name | 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzoic acid |
| InChI | InChI=1S/C9H7N5O4S/c1-13-9(10-11-12-13)19-7-3-2-5(14(17)18)4-6(7)8(15)16/h2-4H,1H3,(H,15,16) |
| InChI Key | VZOHBELMYVQRQG-UHFFFAOYSA-N |
| MDL Number | MFCD02061313 |
| Molecular Formula | C9H7N5O4S |
| Molecular Weight | 281.2480 |
| SMILES | CN1C(SC2=C(C(O)=O)C=C([N+]([O-])=O)C=C2)=NN=N1 |
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