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

Systemtic Name: 3-methylsulfonyl-11-propan-2-yl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Openeye Name: 11-isopropyl-3-methylsulfonyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine CAS Name: 3-methylsulfonyl-11-propan-2-yl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine IUPAC Name: 3-methylsulfonyl-11-propan-2-yl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Traditional Name: 11-isopropyl-3-mesyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C2=CC=CC=C2C=CN3C1=NN=C3S(=O)(=O)C

Isomeric SMILES

CC(C)C1C2=CC=CC=C2C=CN3C1=NN=C3S(=O)(=O)C

InChI

InChI=1S/C15H17N3O2S/c1-10(2)13-12-7-5-4-6-11(12)8-9-18-14(13)16-17-15(18)21(3,19)20/h4-10,13H,1-3H3