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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC(=CC=C3)SC)N4C=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC(=CC=C3)SC)N4C=CC=C4

InChI

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