1-[2-(2-hydroxyethylamino)ethylamino]-4-nitro-thioxanthen-9-one

Systemtic Name: 1-[2-(2-hydroxyethylamino)ethylamino]-4-nitro-thioxanthen-9-one Openeye Name: 1-[2-(2-hydroxyethylamino)ethylamino]-4-nitro-thioxanthen-9-one CAS Name: 1-[2-(2-hydroxyethylamino)ethylamino]-4-nitro-9-thioxanthenone IUPAC Name: 1-[2-(2-hydroxyethylamino)ethylamino]-4-nitrothioxanthen-9-one Traditional Name: 1-[2-(2-hydroxyethylamino)ethylamino]-4-nitro-thioxanthen-9-one Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3S2)[N+](=O)[O-])NCCNCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3S2)[N+](=O)[O-])NCCNCCO

InChI

InChI=1S/C17H17N3O4S/c21-10-9-18-7-8-19-12-5-6-13(20(23)24)17-15(12)16(22)11-3-1-2-4-14(11)25-17/h1-6,18-19,21H,7-10H2