4-[9-chloranyl-7,8-bis(oxidanyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]thiobenzaldehyde

Systemtic Name: 4-[9-chloranyl-7,8-bis(oxidanyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]thiobenzaldehyde Openeye Name: 4-(9-chloro-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)thiobenzaldehyde CAS Name: 4-(9-chloro-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)thiobenzaldehyde IUPAC Name: 4-(9-chloro-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)thiobenzaldehyde Traditional Name: 4-(9-chloro-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)thiobenzaldehyde Formula: C17H16ClNO2S MolecularWeight: 333.83244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO2S/c18-16-12-5-6-19-8-14(13(12)7-15(20)17(16)21)11-3-1-10(9-22)2-4-11/h1-4,7,9,14,19-21H,5-6,8H2