6-chloranyl-1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one hydrochloride

Systemtic Name: 6-chloranyl-1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one hydrochloride Openeye Name: 6-chloro-1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one hydrochloride CAS Name: 6-chloro-1-(2-diethylaminoethylamino)-4-nitro-9-thioxanthenone hydrochloride IUPAC Name: 6-chloro-1-(2-diethylaminoethylamino)-4-nitrothioxanthen-9-one hydrochloride Traditional Name: 6-chloro-1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one hydrochloride Formula: C19H21Cl2N3O3S MolecularWeight: 442.35934

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=C(C2=O)C=CC(=C3)Cl.Cl

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=C(C2=O)C=CC(=C3)Cl.Cl

InChI

InChI=1S/C19H20ClN3O3S.ClH/c1-3-22(4-2)10-9-21-14-7-8-15(23(25)26)19-17(14)18(24)13-6-5-12(20)11-16(13)27-19;/h5-8,11,21H,3-4,9-10H2,1-2H3;1H