N-(3-chloranyl-4-methyl-phenyl)-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-(3-chloro-4-methylphenyl)-4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzamide Formula: C21H20ClN3OS MolecularWeight: 397.921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)C)C)Cl

InChI

InChI=1S/C21H20ClN3OS/c1-13-4-9-18(11-19(13)22)25-20(26)17-7-5-16(6-8-17)12-27-21-23-14(2)10-15(3)24-21/h4-11H,12H2,1-3H3,(H,25,26)