N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide CAS Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-1-(4-fluorophenyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide Traditional Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Formula: C21H22FN3OS MolecularWeight: 383.482283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)C)C

InChI

InChI=1S/C21H22FN3OS/c1-14-4-9-19(12-15(14)2)27-11-10-23-21(26)20-13-24-25(16(20)3)18-7-5-17(22)6-8-18/h4-9,12-13H,10-11H2,1-3H3,(H,23,26)