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

Systemtic Name: 5-ethynyl-3-methylsulfonyl-benzo[b][1]benzothiepine Openeye Name: 5-ethynyl-3-methylsulfonyl-benzo[b][1]benzothiepine CAS Name: 5-ethynyl-3-methylsulfonylbenzo[b][1]benzothiepin IUPAC Name: 5-ethynyl-3-methylsulfonylbenzo[b][1]benzothiepine Traditional Name: 5-ethynyl-3-mesyl-benzo[b][1]benzothiepin Formula: C17H12O2S2 MolecularWeight: 312.40598

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C=C2C#C

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C=C2C#C

InChI

InChI=1S/C17H12O2S2/c1-3-12-10-13-6-4-5-7-16(13)20-17-9-8-14(11-15(12)17)21(2,18)19/h1,4-11H,2H3