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

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-thienylmethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-thiophenylmethylthio)ethyl]-1H-pyrazole-4-carboxamide IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-thenylthio)ethyl]-1H-pyrazole-4-carboxamide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=C(C=NN3)C(=O)NCCSCC4=CSC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=C(C=NN3)C(=O)NCCSCC4=CSC=C4

InChI

InChI=1S/C19H19N3O3S2/c23-19(20-4-8-27-12-13-3-7-26-11-13)15-10-21-22-18(15)14-1-2-16-17(9-14)25-6-5-24-16/h1-3,7,9-11H,4-6,8,12H2,(H,20,23)(H,21,22)