3-methyl-N-(3-methylsulfanylphenyl)-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: 3-methyl-N-(3-methylsulfanylphenyl)-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: 3-methyl-N-(3-methylsulfanylphenyl)-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: 3-methyl-N-[3-(methylthio)phenyl]-1-phenyl-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: 3-methyl-N-(3-methylsulfanylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: 3-methyl-N-[3-(methylthio)phenyl]-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C22H20N4OS MolecularWeight: 388.4854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=CC(=CC=C2)SC)N3C=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=CC(=CC=C2)SC)N3C=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4OS/c1-16-20(21(27)23-17-9-8-12-19(15-17)28-2)22(25-13-6-7-14-25)26(24-16)18-10-4-3-5-11-18/h3-15H,1-2H3,(H,23,27)