5-chloranyl-N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-methyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: 5-chloro-N-(6-chlorothiochroman-4-yl)-3-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 5-chloro-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: 5-chloro-N-(6-chlorothiochroman-4-yl)-3-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C20H17Cl2N3OS MolecularWeight: 418.33948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2CCSC3=C2C=C(C=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2CCSC3=C2C=C(C=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H17Cl2N3OS/c1-12-18(19(22)25(24-12)14-5-3-2-4-6-14)20(26)23-16-9-10-27-17-8-7-13(21)11-15(16)17/h2-8,11,16H,9-10H2,1H3,(H,23,26)