3,3,5,8-tetramethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-4H-2-benzazepin-1-one

Systemtic Name: 3,3,5,8-tetramethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-4H-2-benzazepin-1-one Openeye Name: 3,3,5,8-tetramethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-4H-2-benzazepin-1-one CAS Name: 3,3,5,8-tetramethyl-2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-5-phenyl-4H-2-benzazepin-1-one IUPAC Name: 3,3,5,8-tetramethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-4H-2-benzazepin-1-one Traditional Name: 3,3,5,8-tetramethyl-2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-5-phenyl-4H-2-benzazepin-1-one Formula: C24H28N4OS MolecularWeight: 420.57032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(CC(N(C2=O)CSC3=NN=CN3C)(C)C)(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(CC(N(C2=O)CSC3=NN=CN3C)(C)C)(C)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4OS/c1-17-11-12-20-19(13-17)21(29)28(16-30-22-26-25-15-27(22)5)23(2,3)14-24(20,4)18-9-7-6-8-10-18/h6-13,15H,14,16H2,1-5H3