CHEBI:112306 - 3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-butenoic acid

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ChEBI Name 3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-butenoic acid ChEBI ID CHEBI:112306 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 C21H16ClN3O2S Net Charge 0 Average Mass 409.890 Monoisotopic Mass 409.06518 InChI InChI=1S/C21H16ClN3O2S/c1-13-16(20(22)25(24-13)15-7-3-2-4-8-15)11-14(12-19(26)27)21-23-17-9-5-6-10-18(17)28-21/h2-11H,12H2,1H3,(H,26,27) InChIKey ZVDIXTJKCNITLU-UHFFFAOYSA-N SMILES CC1=NN(C(=C1C=C(CC(=O)O)C2=NC3=CC=CC=C3S2)Cl)C4=CC=CC=C4 ChEBI Ontology Outgoing 3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-butenoic acid (CHEBI:112306) is a pyrazoles (CHEBI:26410) 3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-butenoic acid (CHEBI:112306) is a ring assembly (CHEBI:36820) Manual Xref Database LSM-23718 LINCS View more database links