5-ethynyl-3-propan-2-yl-benzo[b][1]benzothiepine

Systemtic Name: 5-ethynyl-3-propan-2-yl-benzo[b][1]benzothiepine Openeye Name: 5-ethynyl-3-isopropyl-benzo[b][1]benzothiepine CAS Name: 5-ethynyl-3-propan-2-ylbenzo[b][1]benzothiepin IUPAC Name: 5-ethynyl-3-propan-2-ylbenzo[b][1]benzothiepine Traditional Name: 5-ethynyl-3-isopropyl-benzo[b][1]benzothiepin Formula: C19H16S MolecularWeight: 276.39534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16S/c1-4-14-11-16-7-5-6-8-18(16)20-19-10-9-15(13(2)3)12-17(14)19/h1,5-13H,2-3H3