5-bromanyl-4-[(3,4-dimethoxyphenyl)methylamino]-3-[2-(4-nitrophenyl)sulfanylethoxy]-1H-pyridazin-6-one

Systemtic Name: 5-bromanyl-4-[(3,4-dimethoxyphenyl)methylamino]-3-[2-(4-nitrophenyl)sulfanylethoxy]-1H-pyridazin-6-one Openeye Name: 5-bromo-4-[(3,4-dimethoxyphenyl)methylamino]-3-[2-(4-nitrophenyl)sulfanylethoxy]-1H-pyridazin-6-one CAS Name: 5-bromo-4-[(3,4-dimethoxyphenyl)methylamino]-3-[2-[(4-nitrophenyl)thio]ethoxy]-1H-pyridazin-6-one IUPAC Name: 5-bromo-4-[(3,4-dimethoxyphenyl)methylamino]-3-[2-(4-nitrophenyl)sulfanylethoxy]-1H-pyridazin-6-one Traditional Name: 5-bromo-3-[2-[(4-nitrophenyl)thio]ethoxy]-4-(veratrylamino)-1H-pyridazin-6-one Formula: C21H21BrN4O6S MolecularWeight: 537.38364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C(=O)NN=C2OCCSC3=CC=C(C=C3)[N+](=O)[O-])Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C(=O)NN=C2OCCSC3=CC=C(C=C3)[N+](=O)[O-])Br)OC

InChI

InChI=1S/C21H21BrN4O6S/c1-30-16-8-3-13(11-17(16)31-2)12-23-19-18(22)20(27)24-25-21(19)32-9-10-33-15-6-4-14(5-7-15)26(28)29/h3-8,11H,9-10,12H2,1-2H3,(H2,23,24,27)