Formula |
C22H18N4OS |
IUPAC Name |
n-methyl-2-[3-[(e)-2-(3h-pyridin-1-ium-3-id-6-yl)vinyl]indazol-1-ium-6-yl]sulfanyl-benzamide |
Molecular Mass |
386.470 g·mol−1 |
Heat of Formation |
414.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.83 ± 1.08 D |
Volume |
445.17 Å 3 |
Surface Area |
403.99 Å 2 |
HOMO Energy |
-8.32 ± 0.55 eV |
LUMO Energy |
-0.95 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- ag 013736
- ag-013736
- ag-13736
- benzamide, n-methyl-2-((3-((1e)-2-(2-pyridinyl)ethenyl)-1h-indazo)-6-yl)thio)-
- n-methyl-2-((3-((1e)-2-(pyridin-2-yl)ethenyl)-1h-indazol-6-yl)sulfanyl)benzamide
- n-methyl-2-[[3-[(e)-2-(2-pyridyl)vinyl]-1h-indazol-6-yl]sulfanyl]benzamide
- n-methyl-2-[[3-[(e)-2-(2-pyridyl)vinyl]-1h-indazol-6-yl]thio]benzamide
- n-methyl-2-[[3-[(e)-2-pyridin-2-ylethenyl]-1h-indazol-6-yl]sulfanyl]benzamide
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CAS Number(s) |
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InChIKey |
RITAVMQDGBJQJZ-FMIVXFBMSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
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