5-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3,3,5-trimethyl-4H-2-benzazepin-1-one

Systemtic Name: 5-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3,3,5-trimethyl-4H-2-benzazepin-1-one Openeye Name: 5-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3,3,5-trimethyl-4H-2-benzazepin-1-one CAS Name: 5-(4-chlorophenyl)-2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-3,3,5-trimethyl-4H-2-benzazepin-1-one IUPAC Name: 5-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3,3,5-trimethyl-4H-2-benzazepin-1-one Traditional Name: 5-(4-chlorophenyl)-2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-3,3,5-trimethyl-4H-2-benzazepin-1-one Formula: C26H28ClN3OS MolecularWeight: 466.03802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCN2C(=O)C3=CC=CC=C3C(CC2(C)C)(C)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCN2C(=O)C3=CC=CC=C3C(CC2(C)C)(C)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C26H28ClN3OS/c1-17-14-18(2)29-24(28-17)32-16-30-23(31)21-8-6-7-9-22(21)26(5,15-25(30,3)4)19-10-12-20(27)13-11-19/h6-14H,15-16H2,1-5H3