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

Systemtic Name: 8-methoxy-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Openeye Name: 8-methoxy-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine CAS Name: 8-methoxy-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine IUPAC Name: 8-methoxy-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Traditional Name: 3-mesyl-8-methoxy-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Formula: C13H13N3O3S MolecularWeight: 291.32562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CC3=NN=C(N3C=C2)S(=O)(=O)C)C=C1

Isomeric SMILES

COC1=CC2=C(CC3=NN=C(N3C=C2)S(=O)(=O)C)C=C1

InChI

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