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

Systemtic Name: 5-ethynyl-3-methyl-benzo[b][1]benzothiepine Openeye Name: 5-ethynyl-3-methyl-benzo[b][1]benzothiepine CAS Name: 5-ethynyl-3-methylbenzo[b][1]benzothiepin IUPAC Name: 5-ethynyl-3-methylbenzo[b][1]benzothiepine Traditional Name: 5-ethynyl-3-methyl-benzo[b][1]benzothiepin Formula: C17H12S MolecularWeight: 248.34218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=CC=CC=C3C=C2C#C

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=CC=CC=C3C=C2C#C

InChI

InChI=1S/C17H12S/c1-3-13-11-14-6-4-5-7-16(14)18-17-9-8-12(2)10-15(13)17/h1,4-11H,2H3