4-[7,8-bis(oxidanyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]thiobenzaldehyde

Systemtic Name: 4-[7,8-bis(oxidanyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]thiobenzaldehyde Openeye Name: 4-(7,8-dihydroxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)thiobenzaldehyde CAS Name: 4-(7,8-dihydroxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)thiobenzaldehyde IUPAC Name: 4-(7,8-dihydroxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)thiobenzaldehyde Traditional Name: 4-(7,8-dihydroxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)thiobenzaldehyde Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C2=CC(=C(C=C21)O)O)C3=CC=C(C=C3)C=S

Isomeric SMILES

C1CNCC(C2=CC(=C(C=C21)O)O)C3=CC=C(C=C3)C=S

InChI

InChI=1S/C17H17NO2S/c19-16-7-13-5-6-18-9-15(14(13)8-17(16)20)12-3-1-11(10-21)2-4-12/h1-4,7-8,10,15,18-20H,5-6,9H2