5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1H-pyrazole-4-carboxamide

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1H-pyrazole-4-carboxamide Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]-1H-pyrazole-4-carboxamide CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(3-pyridinylmethylthio)phenyl]-1H-pyrazole-4-carboxamide IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1H-pyrazole-4-carboxamide Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(3-pyridylmethylthio)phenyl]-1H-pyrazole-4-carboxamide Formula: C24H20N4O3S MolecularWeight: 444.5056

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=C(C=NN3)C(=O)NC4=CC=C(C=C4)SCC5=CN=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=C(C=NN3)C(=O)NC4=CC=C(C=C4)SCC5=CN=CC=C5

InChI

InChI=1S/C24H20N4O3S/c29-24(27-18-4-6-19(7-5-18)32-15-16-2-1-9-25-13-16)20-14-26-28-23(20)17-3-8-21-22(12-17)31-11-10-30-21/h1-9,12-14H,10-11,15H2,(H,26,28)(H,27,29)