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CHEBI:97983 - (2S,3S,4S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile

ChEBI IDCHEBI:97983
ChEBI Name(2S,3S,4S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
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DownloadsMolfile
FormulaC16H17N3OS
Net Charge0
Average Mass299.399
Monoisotopic Mass299.10923
SMILESCc1nc(N2[C@H](C#N)[C@H](c3ccccc3)[C@H]2CO)sc1C
InChIInChI=1S/C16H17N3OS/c1-10-11(2)21-16(18-10)19-13(8-17)15(14(19)9-20)12-6-4-3-5-7-12/h3-7,13-15,20H,9H2,1-2H3/t13-,14-,15+/m1/s1
InChIKeyAVGQIEGBBUBHIP-KFWWJZLASA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile (CHEBI:97983) is a azetidines (CHEBI:38777)
(2S,3S,4S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile (CHEBI:97983) is a benzenes (CHEBI:22712)
(2S,3S,4S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile (CHEBI:97983) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-9362LINCS