1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one chloride

Systemtic Name: 1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one chloride Openeye Name: 1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one chloride CAS Name: 1-(2-diethylaminoethylamino)-4-nitro-9-thioxanthenone chloride IUPAC Name: 1-(2-diethylaminoethylamino)-4-nitrothioxanthen-9-one chloride Traditional Name: 1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one chloride Formula: C19H21ClN3O3S- MolecularWeight: 406.90634

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O.[Cl-]

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O.[Cl-]

InChI

InChI=1S/C19H21N3O3S.ClH/c1-3-21(4-2)12-11-20-14-9-10-15(22(24)25)19-17(14)18(23)13-7-5-6-8-16(13)26-19;/h5-10,20H,3-4,11-12H2,1-2H3;1H/p-1