4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-1,3-diphenyl-pyrazole

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-1,3-diphenyl-pyrazole Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-1,3-diphenyl-pyrazole CAS Name: 4-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-1,3-diphenylpyrazole IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-1,3-diphenylpyrazole Traditional Name: 4-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-1,3-diphenyl-pyrazole Formula: C24H20N2O2S MolecularWeight: 400.4928

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H20N2O2S/c1-3-7-18(8-4-1)24-19(16-26(25-24)20-9-5-2-6-10-20)17-29-21-11-12-22-23(15-21)28-14-13-27-22/h1-12,15-16H,13-14,17H2