3-chloranyl-5-ethynyl-benzo[b][1]benzothiepine

Systemtic Name: 3-chloranyl-5-ethynyl-benzo[b][1]benzothiepine Openeye Name: 3-chloro-5-ethynyl-benzo[b][1]benzothiepine CAS Name: 3-chloro-5-ethynylbenzo[b][1]benzothiepin IUPAC Name: 3-chloro-5-ethynylbenzo[b][1]benzothiepine Traditional Name: 3-chloro-5-ethynyl-benzo[b][1]benzothiepin Formula: C16H9ClS MolecularWeight: 268.76066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9ClS/c1-2-11-9-12-5-3-4-6-15(12)18-16-8-7-13(17)10-14(11)16/h1,3-10H