N-[3-(1,3-dithian-2-yl)phenyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide

Systemtic Name: N-[3-(1,3-dithian-2-yl)phenyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide Openeye Name: N-[3-(1,3-dithian-2-yl)phenyl]-5-ethyl-1-(p-tolyl)pyrazole-4-carboxamide CAS Name: N-[3-(1,3-dithian-2-yl)phenyl]-5-ethyl-1-(4-methylphenyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-(1,3-dithian-2-yl)phenyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide Traditional Name: N-[3-(1,3-dithian-2-yl)phenyl]-5-ethyl-1-(p-tolyl)pyrazole-4-carboxamide Formula: C23H25N3OS2 MolecularWeight: 423.5941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)NC3=CC=CC(=C3)C4SCCCS4

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)NC3=CC=CC(=C3)C4SCCCS4

InChI

InChI=1S/C23H25N3OS2/c1-3-21-20(15-24-26(21)19-10-8-16(2)9-11-19)22(27)25-18-7-4-6-17(14-18)23-28-12-5-13-29-23/h4,6-11,14-15,23H,3,5,12-13H2,1-2H3,(H,25,27)