5-ethynylbenzo[b][1]benzothiepin-3-amine

Systemtic Name: 5-ethynylbenzo[b][1]benzothiepin-3-amine Openeye Name: 5-ethynylbenzo[b][1]benzothiepin-3-amine CAS Name: 5-ethynyl-3-benzo[b][1]benzothiepinamine IUPAC Name: 5-ethynylbenzo[b][1]benzothiepin-3-amine Traditional Name: (5-ethynylbenzo[b][1]benzothiepin-3-yl)amine Formula: C16H11NS MolecularWeight: 249.33024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)N

Isomeric SMILES

C#CC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)N

InChI

InChI=1S/C16H11NS/c1-2-11-9-12-5-3-4-6-15(12)18-16-8-7-13(17)10-14(11)16/h1,3-10H,17H2