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

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C21H15ClN4O3S MolecularWeight: 438.8868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C21H15ClN4O3S/c1-12-18(19(22)26(25-12)14-5-3-2-4-6-14)20(27)24-21-23-15(10-30-21)13-7-8-16-17(9-13)29-11-28-16/h2-10H,11H2,1H3,(H,23,24,27)