CHEBI:112799 - N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

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ChEBI Name N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
ChEBI ID CHEBI:112799
Stars This entity has been manually annotated by a third party.
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Formula C21H19N3O3S
Net Charge 0
Average Mass 393.461
Monoisotopic Mass 393.11471
InChI InChI=1S/C21H19N3O3S/c1-12-3-5-17(13(2)7-12)24-20(15-9-28-10-16(15)23-24)22-21(25)14-4-6-18-19(8-14)27-11-26-18/h3-8H,9-11H2,1-2H3,(H,22,25)
InChIKey BCHAKAQIAKWFAO-UHFFFAOYSA-N
SMILES CC1=CC(=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C4=CC5=C(C=C4)OCO5)C
ChEBI Ontology
Outgoing N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:112799) is a pyrazoles (CHEBI:26410)
N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:112799) is a ring assembly (CHEBI:36820)
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