N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-1-phenyl-pyrazole-4-carboxamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CN(N=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CN(N=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H19N5OS/c1-15-12-16(2)25-22(24-15)29-20-10-8-18(9-11-20)26-21(28)17-13-23-27(14-17)19-6-4-3-5-7-19/h3-14H,1-2H3,(H,26,28)