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

Systemtic Name: 5-chloranyl-3-methyl-1-phenyl-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide Openeye Name: N-(5-benzylthiazol-2-yl)-5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-phenyl-N-[5-(phenylmethyl)-2-thiazolyl]-4-pyrazolecarboxamide IUPAC Name: N-(5-benzyl-1,3-thiazol-2-yl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-(5-benzylthiazol-2-yl)-5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C21H17ClN4OS MolecularWeight: 408.90388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=NC=C(S2)CC3=CC=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=NC=C(S2)CC3=CC=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H17ClN4OS/c1-14-18(19(22)26(25-14)16-10-6-3-7-11-16)20(27)24-21-23-13-17(28-21)12-15-8-4-2-5-9-15/h2-11,13H,12H2,1H3,(H,23,24,27)