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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=C(C2=C(C(=C1)C=O)SC3=C(C2=O)C=C(C=C3)Br)N

Isomeric SMILES

CCN(CC)CCC1=C(C2=C(C(=C1)C=O)SC3=C(C2=O)C=C(C=C3)Br)N

InChI

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