N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-1-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-1-phenyl-pyrazole-3-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-1-phenyl-pyrazole-3-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-1-phenyl-3-pyrazolecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-1-phenylpyrazole-3-carboxamide Traditional Name: N-(4-methyl-5-piperonyl-thiazol-2-yl)-1-phenyl-pyrazole-3-carboxamide Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=NN(C=C2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=NN(C=C2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H18N4O3S/c1-14-20(12-15-7-8-18-19(11-15)29-13-28-18)30-22(23-14)24-21(27)17-9-10-26(25-17)16-5-3-2-4-6-16/h2-11H,12-13H2,1H3,(H,23,24,27)