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

Systemtic Name: 8-methyl-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Openeye Name: 8-methyl-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine CAS Name: 8-methyl-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine IUPAC Name: 8-methyl-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Traditional Name: 3-mesyl-8-methyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC3=NN=C(N3C=C2)S(=O)(=O)C)C=C1

Isomeric SMILES

CC1=CC2=C(CC3=NN=C(N3C=C2)S(=O)(=O)C)C=C1

InChI

InChI=1S/C13H13N3O2S/c1-9-3-4-10-8-12-14-15-13(19(2,17)18)16(12)6-5-11(10)7-9/h3-7H,8H2,1-2H3