3-chloranyl-5-ethynyl-6-methyl-benzo[b][1]benzothiepine

Systemtic Name: 3-chloranyl-5-ethynyl-6-methyl-benzo[b][1]benzothiepine Openeye Name: 3-chloro-5-ethynyl-6-methyl-benzo[b][1]benzothiepine CAS Name: 3-chloro-5-ethynyl-6-methylbenzo[b][1]benzothiepin IUPAC Name: 3-chloro-5-ethynyl-6-methylbenzo[b][1]benzothiepine Traditional Name: 3-chloro-5-ethynyl-6-methyl-benzo[b][1]benzothiepin Formula: C17H11ClS MolecularWeight: 282.78724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC(=C2)Cl)SC3=CC=CC=C13)C#C

Isomeric SMILES

CC1=C(C2=C(C=CC(=C2)Cl)SC3=CC=CC=C13)C#C

InChI

InChI=1S/C17H11ClS/c1-3-13-11(2)14-6-4-5-7-16(14)19-17-9-8-12(18)10-15(13)17/h1,4-10H,2H3