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Inherent Properties, Identifiers and References
ChemSpider ID: 3699182
Empirical Formula: C28H19N5O3S
Molecular Weight: 505.5472
Nominal Mass: 505 Da
Average Mass: 505.5472 Da
Monoisotopic Mass: 505.120859 Da
Systematic Name: 2-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-p​henyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
SMILES: O=C1C(S\C2=N\C(=O)/C(=N\N12)c3ccccc3)=Cc5cn(nc5c4ccc(OC)cc4)c6ccc​cc6 Copy
InChI: InChI=1/C28H19N5O3S/c1-36-22-14-12-19(13-15-22)24-20(17-32(30-24)​21-10-6-3-7-11-21)16-23-27(35)33-28(37-23)29-26(34)25(31-33)18-8-​4-2-5-9-18/h2-17H,1H3 Copy
InChIKey: NZOOFGNPFNXGGT-UHFFFAOYAS
Std. InChI: InChI=1S/C28H19N5O3S/c1-36-22-14-12-19(13-15-22)24-20(17-32(30-24​)21-10-6-3-7-11-21)16-23-27(35)33-28(37-23)29-26(34)25(31-33)18-8​-4-2-5-9-18/h2-17H,1H3 Copy
Std. InChIKey: NZOOFGNPFNXGGT-UHFFFAOYSA-N
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