2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 1-(3-phenyl-2-pyrazolin-1-yl)-2-(piperonylthio)ethanone Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CSCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CSCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18N2O3S/c22-19(21-9-8-16(20-21)15-4-2-1-3-5-15)12-25-11-14-6-7-17-18(10-14)24-13-23-17/h1-7,10H,8-9,11-13H2