| SpectraBase Compound ID | 4unIchki15M |
|---|---|
| InChI | InChI=1S/C17H16N4OS/c1-20-17(23)21(12-13-8-4-2-5-9-13)16(19-20)18-15(22)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,18,19,22) |
| InChIKey | TZEAIJXIORUAAV-UHFFFAOYSA-N |
| Mol Weight | 324.4 g/mol |
| Molecular Formula | C17H16N4OS |
| Exact Mass | 324.104482 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8c5aM6VXLs |
|---|---|
| Name | 2-METHYL-4-BENZYL-5-BENZOYL-AMINO-1,2,4-TRIAZOLINE-3-THIONE |
| Compound Number | 10A |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C17H16N4OS/c1-20-17(23)21(12-13-8-4-2-5-9-13)16(19-20)18-15(22)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,18,19,22) |
| InChIKey | TZEAIJXIORUAAV-UHFFFAOYSA-N |
| Literature Reference | S.ERNST,K.SCHULZE J.HETCYCL.CHEM.,33,203(1996) |
| Solvent | Dimethyl sulfoxide-d6 |