N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine

Systemtic Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine Openeye Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-2-thiazol-4-yl-ethanamine CAS Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl]-2-(4-thiazolyl)ethanamine IUPAC Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-thiazol-4-ylethyl)amine Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3CNCCC4=CSC=N4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3CNCCC4=CSC=N4)C5=CC=CC=C5

InChI

InChI=1S/C22H20N4O2S/c1-2-4-19(5-3-1)26-12-17(11-23-9-8-18-13-29-14-24-18)22(25-26)16-6-7-20-21(10-16)28-15-27-20/h1-7,10,12-14,23H,8-9,11,15H2