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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=NN=C2N1C=CC3=CC=CC=C3C2

Isomeric SMILES

CCCCS(=O)(=O)C1=NN=C2N1C=CC3=CC=CC=C3C2

InChI

InChI=1S/C15H17N3O2S/c1-2-3-10-21(19,20)15-17-16-14-11-13-7-5-4-6-12(13)8-9-18(14)15/h4-9H,2-3,10-11H2,1H3