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

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-phenyl-cyclopropane-1-carboxamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-phenyl-cyclopropanecarboxamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-1-phenyl-1-cyclopropanecarboxamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-phenylcyclopropane-1-carboxamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-1-phenyl-cyclopropanecarboxamide Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H21N3OS/c1-15-14-16(2)24-21(23-15)27-19-10-8-18(9-11-19)25-20(26)22(12-13-22)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,25,26)