3-bromanyl-5,6-dimethyl-benzo[b][1]benzothiepine

Systemtic Name: 3-bromanyl-5,6-dimethyl-benzo[b][1]benzothiepine Openeye Name: 3-bromo-5,6-dimethyl-benzo[b][1]benzothiepine CAS Name: 3-bromo-5,6-dimethylbenzo[b][1]benzothiepin IUPAC Name: 3-bromo-5,6-dimethylbenzo[b][1]benzothiepine Traditional Name: 3-bromo-5,6-dimethyl-benzo[b][1]benzothiepin Formula: C16H13BrS MolecularWeight: 317.24342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC(=C2)Br)SC3=CC=CC=C13)C

Isomeric SMILES

CC1=C(C2=C(C=CC(=C2)Br)SC3=CC=CC=C13)C

InChI

InChI=1S/C16H13BrS/c1-10-11(2)14-9-12(17)7-8-16(14)18-15-6-4-3-5-13(10)15/h3-9H,1-2H3