9-methoxy-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine

Systemtic Name: 9-methoxy-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Openeye Name: 9-methoxy-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine CAS Name: 9-methoxy-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine IUPAC Name: 9-methoxy-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Traditional Name: 3-mesyl-9-methoxy-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CN3C(=NN=C3S(=O)(=O)C)C2

Isomeric SMILES

COC1=CC2=C(C=C1)C=CN3C(=NN=C3S(=O)(=O)C)C2

InChI

InChI=1S/C13H13N3O3S/c1-19-11-4-3-9-5-6-16-12(8-10(9)7-11)14-15-13(16)20(2,17)18/h3-7H,8H2,1-2H3