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

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-methoxy-1-phenyl-pyrazole-3-carboxamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-4-methoxy-1-phenyl-pyrazole-3-carboxamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-4-methoxy-1-phenyl-3-pyrazolecarboxamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-4-methoxy-1-phenyl-pyrazole-3-carboxamide Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

COC1=CN(N=C1C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C21H16N4O4S/c1-27-18-10-25(14-5-3-2-4-6-14)24-19(18)20(26)23-21-22-15(11-30-21)13-7-8-16-17(9-13)29-12-28-16/h2-11H,12H2,1H3,(H,22,23,26)