N-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-[1-(phenylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine

Systemtic Name: N-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-[1-(phenylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine Openeye Name: N-(1,3-benzodioxol-4-ylmethyl)-5-(1-benzylpyrazol-3-yl)-4-methyl-thiazol-2-amine CAS Name: N-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-[1-(phenylmethyl)-3-pyrazolyl]-2-thiazolamine IUPAC Name: N-(1,3-benzodioxol-4-ylmethyl)-5-(1-benzylpyrazol-3-yl)-4-methyl-1,3-thiazol-2-amine Traditional Name: 1,3-benzodioxol-4-ylmethyl-[5-(1-benzylpyrazol-3-yl)-4-methyl-thiazol-2-yl]amine Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NCC2=C3C(=CC=C2)OCO3)C4=NN(C=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC(=N1)NCC2=C3C(=CC=C2)OCO3)C4=NN(C=C4)CC5=CC=CC=C5

InChI

InChI=1S/C22H20N4O2S/c1-15-21(18-10-11-26(25-18)13-16-6-3-2-4-7-16)29-22(24-15)23-12-17-8-5-9-19-20(17)28-14-27-19/h2-11H,12-14H2,1H3,(H,23,24)