1-(4-bromophenyl)-5-methyl-N-(3-methylsulfanylphenyl)pyrazole-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)-5-methyl-N-(3-methylsulfanylphenyl)pyrazole-4-carboxamide Openeye Name: 1-(4-bromophenyl)-5-methyl-N-(3-methylsulfanylphenyl)pyrazole-4-carboxamide CAS Name: 1-(4-bromophenyl)-5-methyl-N-[3-(methylthio)phenyl]-4-pyrazolecarboxamide IUPAC Name: 1-(4-bromophenyl)-5-methyl-N-(3-methylsulfanylphenyl)pyrazole-4-carboxamide Traditional Name: 1-(4-bromophenyl)-5-methyl-N-[3-(methylthio)phenyl]pyrazole-4-carboxamide Formula: C18H16BrN3OS MolecularWeight: 402.30814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C18H16BrN3OS/c1-12-17(11-20-22(12)15-8-6-13(19)7-9-15)18(23)21-14-4-3-5-16(10-14)24-2/h3-11H,1-2H3,(H,21,23)