CHEBI:100724 - LSM-12098

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ChEBI Name LSM-12098 ChEBI ID CHEBI:100724 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C19H21N3OS Net Charge 0 Average Mass 339.456 Monoisotopic Mass 339.14053 InChI InChI=1S/C19H21N3OS/c1-3-5-13-6-8-14(9-7-13)18-16(10-20)22(17(18)11-23)19-21-15(4-2)12-24-19/h3,5-9,12,16-18,23H,4,11H2,1-2H3/t16-,17-,18+/m0/s1 InChIKey SLFKQKCTISPXPS-OKZBNKHCSA-N SMILES CCC1=CSC(=N1)N2[C@H]([C@@H]([C@@H]2C#N)C3=CC=C(C=C3)C=CC)CO ChEBI Ontology Outgoing LSM-12098 (CHEBI:100724) is a azetidines (CHEBI:38777) LSM-12098 (CHEBI:100724) is a benzenes (CHEBI:22712) LSM-12098 (CHEBI:100724) is a ring assembly (CHEBI:36820) Manual Xref Database LSM-12098 LINCS View more database links