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

Systemtic Name: 5-methyl-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Openeye Name: 5-methyl-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine CAS Name: 5-methyl-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine IUPAC Name: 5-methyl-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Traditional Name: 3-mesyl-5-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=CC=CC=C2CC3=NN=C(N13)S(=O)(=O)C

Isomeric SMILES

CC1=CC2=CC=CC=C2CC3=NN=C(N13)S(=O)(=O)C

InChI

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