N-[2-(4-bromophenyl)sulfanylethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide

Systemtic Name: N-[2-(4-bromophenyl)sulfanylethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide Openeye Name: N-[2-(4-bromophenyl)sulfanylethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide CAS Name: N-[2-[(4-bromophenyl)thio]ethyl]-4-(3,5-dimethyl-1-pyrazolyl)benzamide IUPAC Name: N-[2-(4-bromophenyl)sulfanylethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide Traditional Name: N-[2-[(4-bromophenyl)thio]ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide Formula: C20H20BrN3OS MolecularWeight: 430.3613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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