| SpectraBase Compound ID | J3Pcq5ZG8Gn |
|---|---|
| InChI | InChI=1S/C12H14N4OS2/c1-7-4-3-5-9(8(7)2)14-10(17)6-18-12-16-15-11(13)19-12/h3-5H,6H2,1-2H3,(H2,13,15)(H,14,17) |
| InChIKey | AOHIJEYCFOBPHM-UHFFFAOYSA-N |
| Mol Weight | 294.39 g/mol |
| Molecular Formula | C12H14N4OS2 |
| Exact Mass | 294.060903 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1BgwLqXq0xV |
|---|---|
| Name | N-(2,3-Dimethylphenyl)-5-amino-1,3,4-thiadiazol-2-ylthioacetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.060903434 u |
| Formula | C12H14N4OS2 |
| InChI | InChI=1S/C12H14N4OS2/c1-7-4-3-5-9(8(7)2)14-10(17)6-18-12-16-15-11(13)19-12/h3-5H,6H2,1-2H3,(H2,13,15)(H,14,17) |
| InChIKey | AOHIJEYCFOBPHM-UHFFFAOYSA-N |
| SMILES | N(c1c(c(C)ccc1)C)C(CSC=1SC(=NN1)N)=O |