N-[2-(4-bromophenyl)sulfanylethyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[2-(4-bromophenyl)sulfanylethyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[2-(4-bromophenyl)sulfanylethyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[2-[(4-bromophenyl)thio]ethyl]-3,5-dimethyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[2-(4-bromophenyl)sulfanylethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-[2-[(4-bromophenyl)thio]ethyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide Formula: C20H20BrN3OS MolecularWeight: 430.3613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NCCSC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NCCSC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3OS/c1-14-19(15(2)24(23-14)17-6-4-3-5-7-17)20(25)22-12-13-26-18-10-8-16(21)9-11-18/h3-11H,12-13H2,1-2H3,(H,22,25)