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

Systemtic Name: 3-methyl-1-(4-methylphenyl)-N-(3-methylsulfanylphenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: 3-methyl-N-(3-methylsulfanylphenyl)-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: 3-methyl-1-(4-methylphenyl)-N-[3-(methylthio)phenyl]-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: 3-methyl-1-(4-methylphenyl)-N-(3-methylsulfanylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: 3-methyl-N-[3-(methylthio)phenyl]-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4OS/c1-16-9-11-19(12-10-16)27-23(26-13-4-5-14-26)21(17(2)25-27)22(28)24-18-7-6-8-20(15-18)29-3/h4-15H,1-3H3,(H,24,28)