2-methyl-1-[4-[(4-methylsulfanylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propan-1-ol

Systemtic Name: 2-methyl-1-[4-[(4-methylsulfanylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propan-1-ol Openeye Name: 2-methyl-1-[4-[(4-methylsulfanylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propan-1-ol CAS Name: 2-methyl-1-[4-[[4-(methylthio)phenyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-propanol IUPAC Name: 2-methyl-1-[4-[(4-methylsulfanylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propan-1-ol Traditional Name: 2-methyl-1-[4-[4-(methylthio)benzyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propan-1-ol Formula: C21H27NO2S MolecularWeight: 357.50958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCN(C2)CC3=CC=C(C=C3)SC)O

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)OCCN(C2)CC3=CC=C(C=C3)SC)O

InChI

InChI=1S/C21H27NO2S/c1-15(2)21(23)17-6-9-20-18(12-17)14-22(10-11-24-20)13-16-4-7-19(25-3)8-5-16/h4-9,12,15,21,23H,10-11,13-14H2,1-3H3