[2-methyl-3-[2-[(5-phenylpyridin-3-yl)methylamino]ethoxy]phenyl] thiohypochlorite

Systemtic Name: [2-methyl-3-[2-[(5-phenylpyridin-3-yl)methylamino]ethoxy]phenyl] thiohypochlorite Openeye Name: [2-methyl-3-[2-[(5-phenyl-3-pyridyl)methylamino]ethoxy]phenyl] thiohypochlorite CAS Name: thiohypochlorous acid [2-methyl-3-[2-[(5-phenyl-3-pyridinyl)methylamino]ethoxy]phenyl] ester IUPAC Name: [2-methyl-3-[2-[(5-phenylpyridin-3-yl)methylamino]ethoxy]phenyl] thiohypochlorite Traditional Name: thiohypochlorous acid [2-methyl-3-[2-[(5-phenyl-3-pyridyl)methylamino]ethoxy]phenyl] ester Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCl)OCCNCC2=CN=CC(=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1SCl)OCCNCC2=CN=CC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2OS/c1-16-20(8-5-9-21(16)26-22)25-11-10-23-13-17-12-19(15-24-14-17)18-6-3-2-4-7-18/h2-9,12,14-15,23H,10-11,13H2,1H3