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

Systemtic Name: 1-(2-dimethylaminoethylamino)-4-nitro-thioxanthen-9-one hydrochloride Openeye Name: 1-(2-dimethylaminoethylamino)-4-nitro-thioxanthen-9-one hydrochloride CAS Name: 1-(2-dimethylaminoethylamino)-4-nitro-9-thioxanthenone hydrochloride IUPAC Name: 1-(2-dimethylaminoethylamino)-4-nitrothioxanthen-9-one hydrochloride Traditional Name: 1-(2-dimethylaminoethylamino)-4-nitro-thioxanthen-9-one hydrochloride Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3S.ClH/c1-19(2)10-9-18-12-7-8-13(20(22)23)17-15(12)16(21)11-5-3-4-6-14(11)24-17;/h3-8,18H,9-10H2,1-2H3;1H