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Inherent Properties, Identifiers and References
ChemSpider ID: 2812765
Empirical Formula: C34H29N3O2S
Molecular Weight: 543.678
Nominal Mass: 543 Da
Average Mass: 543.678 Da
Monoisotopic Mass: 543.198047 Da
Systematic Name: 10-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-7-(3-metho​xyphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9​(10H)-one
SMILES: O=C1C(S\C2=N\C4=C(/C(N12)c3cccc(OC)c3)CCc5ccccc45)=Cc7cc(n(c6cccc​c6)c7C)C Copy
InChI: InChI=1/C34H29N3O2S/c1-21-18-25(22(2)36(21)26-12-5-4-6-13-26)20-3​0-33(38)37-32(24-11-9-14-27(19-24)39-3)29-17-16-23-10-7-8-15-28(2​3)31(29)35-34(37)40-30/h4-15,18-20,32H,16-17H2,1-3H3 Copy
InChIKey: PNTLLSDIHOOCMQ-UHFFFAOYAS
Std. InChI: Copy
Std. InChIKey: -
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SimBioSys LASSO