4-[[3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]thiomorpholine

Systemtic Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]thiomorpholine Openeye Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl]thiomorpholine CAS Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)-4-pyrazolyl]methyl]thiomorpholine IUPAC Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-benzylpyrazol-4-yl]methyl]thiomorpholine Traditional Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl]thiomorpholine Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

C1CSCCN1CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C22H23N3O2S/c1-2-4-17(5-3-1)13-25-15-19(14-24-8-10-28-11-9-24)22(23-25)18-6-7-20-21(12-18)27-16-26-20/h1-7,12,15H,8-11,13-14,16H2