2-[2-(4-nitrophenyl)sulfanylquinolin-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[2-(4-nitrophenyl)sulfanylquinolin-4-yl]-1,3-benzothiazole Openeye Name: 2-[2-(4-nitrophenyl)sulfanyl-4-quinolyl]-1,3-benzothiazole CAS Name: 2-[2-[(4-nitrophenyl)thio]-4-quinolinyl]-1,3-benzothiazole IUPAC Name: 2-[2-(4-nitrophenyl)sulfanylquinolin-4-yl]-1,3-benzothiazole Traditional Name: 2-[2-[(4-nitrophenyl)thio]-4-quinolyl]-1,3-benzothiazole Formula: C22H13N3O2S2 MolecularWeight: 415.48752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)SC3=CC=C(C=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)SC3=CC=C(C=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H13N3O2S2/c26-25(27)14-9-11-15(12-10-14)28-21-13-17(16-5-1-2-6-18(16)23-21)22-24-19-7-3-4-8-20(19)29-22/h1-13H