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

Systemtic Name: 1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one hydrochloride Openeye Name: 1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one hydrochloride CAS Name: 1-(2-diethylaminoethylamino)-4-nitro-9-thioxanthenone hydrochloride IUPAC Name: 1-(2-diethylaminoethylamino)-4-nitrothioxanthen-9-one hydrochloride Traditional Name: 1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one hydrochloride Formula: C19H22ClN3O3S MolecularWeight: 407.91428

Click to see the large picture

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