1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)phenyl]pyrazole

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)phenyl]pyrazole Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)phenyl]pyrazole CAS Name: 1-[4-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]phenyl]pyrazole IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)phenyl]pyrazole Traditional Name: 1-[4-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]phenyl]pyrazole Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C18H16N2O2S/c1-8-19-20(9-1)15-4-2-14(3-5-15)13-23-16-6-7-17-18(12-16)22-11-10-21-17/h1-9,12H,10-11,13H2