7-bromanyl-1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthene-4-carbaldehyde

Systemtic Name: 7-bromanyl-1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthene-4-carbaldehyde Openeye Name: 7-bromo-1-(2-diethylaminoethylamino)-9-oxo-thioxanthene-4-carbaldehyde CAS Name: 7-bromo-1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenecarboxaldehyde IUPAC Name: 7-bromo-1-(2-diethylaminoethylamino)-9-oxothioxanthene-4-carbaldehyde Traditional Name: 7-bromo-1-(2-diethylaminoethylamino)-9-keto-thioxanthene-4-carbaldehyde Formula: C20H21BrN2O2S MolecularWeight: 433.36194

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)C=O)SC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)C=O)SC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C20H21BrN2O2S/c1-3-23(4-2)10-9-22-16-7-5-13(12-24)20-18(16)19(25)15-11-14(21)6-8-17(15)26-20/h5-8,11-12,22H,3-4,9-10H2,1-2H3