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

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

CC1C2=CC=CC=C2C=CN3C1=NN=C3S(=O)(=O)C

Isomeric SMILES

CC1C2=CC=CC=C2C=CN3C1=NN=C3S(=O)(=O)C

InChI

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