3-chloranyl-6-ethynyl-8-methylsulfanyl-benzo[b][1]benzothiepine

Systemtic Name: 3-chloranyl-6-ethynyl-8-methylsulfanyl-benzo[b][1]benzothiepine Openeye Name: 3-chloro-6-ethynyl-8-methylsulfanyl-benzo[b][1]benzothiepine CAS Name: 3-chloro-6-ethynyl-8-(methylthio)benzo[b][1]benzothiepin IUPAC Name: 3-chloro-6-ethynyl-8-methylsulfanylbenzo[b][1]benzothiepine Traditional Name: 3-chloro-6-ethynyl-8-(methylthio)benzo[b][1]benzothiepin Formula: C17H11ClS2 MolecularWeight: 314.85224

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)SC3=C(C=C(C=C3)Cl)C=C2C#C

Isomeric SMILES

CSC1=CC2=C(C=C1)SC3=C(C=C(C=C3)Cl)C=C2C#C

InChI

InChI=1S/C17H11ClS2/c1-3-11-8-12-9-13(18)4-6-16(12)20-17-7-5-14(19-2)10-15(11)17/h1,4-10H,2H3