8,9-dimethoxy-11-methylidene-3-methylsulfonyl-[1,2,4]triazolo[3,4-b][3]benzazepine

Systemtic Name: 8,9-dimethoxy-11-methylidene-3-methylsulfonyl-[1,2,4]triazolo[3,4-b][3]benzazepine Openeye Name: 8,9-dimethoxy-11-methylene-3-methylsulfonyl-[1,2,4]triazolo[3,4-b][3]benzazepine CAS Name: 8,9-dimethoxy-11-methylene-3-methylsulfonyl-[1,2,4]triazolo[3,4-b][3]benzazepine IUPAC Name: 8,9-dimethoxy-11-methylidene-3-methylsulfonyl-[1,2,4]triazolo[3,4-b][3]benzazepine Traditional Name: 3-mesyl-8,9-dimethoxy-11-methylene-[1,2,4]triazolo[3,4-b][3]benzazepine Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C)C3=NN=C(N3C=CC2=C1)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C2C(=C)C3=NN=C(N3C=CC2=C1)S(=O)(=O)C)OC

InChI

InChI=1S/C15H15N3O4S/c1-9-11-8-13(22-3)12(21-2)7-10(11)5-6-18-14(9)16-17-15(18)23(4,19)20/h5-8H,1H2,2-4H3