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

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-5-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-5-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-5-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H16N4O3S/c1-13-16(10-22-25(13)15-5-3-2-4-6-15)20(26)24-21-23-17(11-29-21)14-7-8-18-19(9-14)28-12-27-18/h2-11H,12H2,1H3,(H,23,24,26)