2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

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