[4-[(4,6-dimethylpyrimidin-2-yl)-sulfanyl-methyl]phenyl]-phenyl-methanone

Systemtic Name: [4-[(4,6-dimethylpyrimidin-2-yl)-sulfanyl-methyl]phenyl]-phenyl-methanone Openeye Name: [4-[(4,6-dimethylpyrimidin-2-yl)-sulfanyl-methyl]phenyl]-phenyl-methanone CAS Name: [4-[(4,6-dimethyl-2-pyrimidinyl)-mercaptomethyl]phenyl]-phenylmethanone IUPAC Name: [4-[(4,6-dimethylpyrimidin-2-yl)-sulfanylmethyl]phenyl]-phenylmethanone Traditional Name: [4-[(4,6-dimethylpyrimidin-2-yl)-mercapto-methyl]phenyl]-phenyl-methanone Formula: C20H18N2OS MolecularWeight: 334.43472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C2=CC=C(C=C2)C(=O)C3=CC=CC=C3)S)C

Isomeric SMILES

CC1=CC(=NC(=N1)C(C2=CC=C(C=C2)C(=O)C3=CC=CC=C3)S)C

InChI

InChI=1S/C20H18N2OS/c1-13-12-14(2)22-20(21-13)19(24)17-10-8-16(9-11-17)18(23)15-6-4-3-5-7-15/h3-12,19,24H,1-2H3