3-chloranyl-5-ethynyl-8-methyl-benzo[b][1]benzothiepine

Systemtic Name: 3-chloranyl-5-ethynyl-8-methyl-benzo[b][1]benzothiepine Openeye Name: 3-chloro-5-ethynyl-8-methyl-benzo[b][1]benzothiepine CAS Name: 3-chloro-5-ethynyl-8-methylbenzo[b][1]benzothiepin IUPAC Name: 3-chloro-5-ethynyl-8-methylbenzo[b][1]benzothiepine Traditional Name: 3-chloro-5-ethynyl-8-methyl-benzo[b][1]benzothiepin Formula: C17H11ClS MolecularWeight: 282.78724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)Cl)C(=C2)C#C

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)Cl)C(=C2)C#C

InChI

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