4-chloranyl-2,5-dimethyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]pyrazole-3-carboxamide

Systemtic Name: 4-chloranyl-2,5-dimethyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]pyrazole-3-carboxamide Openeye Name: 4-chloro-2,5-dimethyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]pyrazole-3-carboxamide CAS Name: 4-chloro-2,5-dimethyl-N-[[4-[4-(methylthio)phenoxy]phenyl]methyl]-3-pyrazolecarboxamide IUPAC Name: 4-chloro-2,5-dimethyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]pyrazole-3-carboxamide Traditional Name: 4-chloro-2,5-dimethyl-N-[4-[4-(methylthio)phenoxy]benzyl]pyrazole-3-carboxamide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)SC)C

Isomeric SMILES

CC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)SC)C

InChI

InChI=1S/C20H20ClN3O2S/c1-13-18(21)19(24(2)23-13)20(25)22-12-14-4-6-15(7-5-14)26-16-8-10-17(27-3)11-9-16/h4-11H,12H2,1-3H3,(H,22,25)