1-[3-(dimethylamino)propylamino]-4-nitro-thioxanthen-9-one

Systemtic Name: 1-[3-(dimethylamino)propylamino]-4-nitro-thioxanthen-9-one Openeye Name: 1-[3-(dimethylamino)propylamino]-4-nitro-thioxanthen-9-one CAS Name: 1-[3-(dimethylamino)propylamino]-4-nitro-9-thioxanthenone IUPAC Name: 1-[3-(dimethylamino)propylamino]-4-nitrothioxanthen-9-one Traditional Name: 1-[3-(dimethylamino)propylamino]-4-nitro-thioxanthen-9-one Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O

Isomeric SMILES

CN(C)CCCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O

InChI

InChI=1S/C18H19N3O3S/c1-20(2)11-5-10-19-13-8-9-14(21(23)24)18-16(13)17(22)12-6-3-4-7-15(12)25-18/h3-4,6-9,19H,5,10-11H2,1-2H3