LSM-12098 (CHEBI:100724)

CHEBI:100724 - LSM-12098

Formula	C19H21N3OS
Net Charge	0
Average Mass	339.464
Monoisotopic Mass	339.14053
SMILES	CC=Cc1ccc([C@@H]2[C@H](C#N)N(c3nc(CC)cs3)[C@H]2CO)cc1
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

ChEBI Ontology

Outgoing Relation(s)
	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 Xrefs	Databases
LSM-12098	LINCS