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

Systemtic Name: 11-butyl-3-methylsulfanyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Openeye Name: 11-butyl-3-methylsulfanyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine CAS Name: 11-butyl-3-(methylthio)-11H-[1,2,4]triazolo[3,4-b][3]benzazepine IUPAC Name: 11-butyl-3-methylsulfanyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Traditional Name: 11-butyl-3-(methylthio)-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Formula: C16H19N3S MolecularWeight: 285.40716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=CC=CC=C2C=CN3C1=NN=C3SC

Isomeric SMILES

CCCCC1C2=CC=CC=C2C=CN3C1=NN=C3SC

InChI

InChI=1S/C16H19N3S/c1-3-4-8-14-13-9-6-5-7-12(13)10-11-19-15(14)17-18-16(19)20-2/h5-7,9-11,14H,3-4,8H2,1-2H3