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Inherent Properties, Identifiers and References
ChemSpider ID: 4917387
Empirical Formula: C25H23N3O2S
Molecular Weight: 429.534
Nominal Mass: 429 Da
Average Mass: 429.534 Da
Monoisotopic Mass: 429.151097 Da
Systematic Name: 3-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-5,6-diphenyl-1,2,4-triazin​e
SMILES: n3c(SCCOc1ccc(OCC)cc1)nnc(c2ccccc2)c3c4ccccc4 Copy
InChI: InChI=1/C25H23N3O2S/c1-2-29-21-13-15-22(16-14-21)30-17-18-31-25-2​6-23(19-9-5-3-6-10-19)24(27-28-25)20-11-7-4-8-12-20/h3-16H,2,17-1​8H2,1H3 Copy
InChIKey: FOMWUINCVGZRJZ-UHFFFAOYAQ
Std. InChI: InChI=1S/C25H23N3O2S/c1-2-29-21-13-15-22(16-14-21)30-17-18-31-25-​26-23(19-9-5-3-6-10-19)24(27-28-25)20-11-7-4-8-12-20/h3-16H,2,17-​18H2,1H3 Copy
Std. InChIKey: FOMWUINCVGZRJZ-UHFFFAOYSA-N
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Predicted Properties
SimBioSys LASSO