N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2,5-dimethyl-benzamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2,5-dimethyl-benzamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2,5-dimethyl-benzamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-2,5-dimethylbenzamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2,5-dimethylbenzamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-2,5-dimethyl-benzamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C21H21N3OS/c1-13-5-6-14(2)19(11-13)20(25)24-17-7-9-18(10-8-17)26-21-22-15(3)12-16(4)23-21/h5-12H,1-4H3,(H,24,25)