5-ethynyl-9-methyl-3-methylsulfanyl-benzo[b][1]benzothiepine

Systemtic Name: 5-ethynyl-9-methyl-3-methylsulfanyl-benzo[b][1]benzothiepine Openeye Name: 5-ethynyl-9-methyl-3-methylsulfanyl-benzo[b][1]benzothiepine CAS Name: 5-ethynyl-9-methyl-3-(methylthio)benzo[b][1]benzothiepin IUPAC Name: 5-ethynyl-9-methyl-3-methylsulfanylbenzo[b][1]benzothiepine Traditional Name: 5-ethynyl-9-methyl-3-(methylthio)benzo[b][1]benzothiepin Formula: C18H14S2 MolecularWeight: 294.43376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C3=C(S2)C=CC(=C3)SC)C#C

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C3=C(S2)C=CC(=C3)SC)C#C

InChI

InChI=1S/C18H14S2/c1-4-13-10-14-6-5-12(2)9-18(14)20-17-8-7-15(19-3)11-16(13)17/h1,5-11H,2-3H3