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

Systemtic Name: 2-bromanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-methoxy-benzamide Openeye Name: 2-bromo-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-methoxy-benzamide CAS Name: 2-bromo-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-5-methoxybenzamide IUPAC Name: 2-bromo-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-methoxybenzamide Traditional Name: 2-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-5-methoxy-benzamide Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)OC)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)OC)Br)C

InChI

InChI=1S/C20H18BrN3O2S/c1-12-10-13(2)23-20(22-12)27-16-7-4-14(5-8-16)24-19(25)17-11-15(26-3)6-9-18(17)21/h4-11H,1-3H3,(H,24,25)