5,6-bis(bromomethyl)-3-methylsulfanyl-benzo[b][1]benzothiepine

Systemtic Name: 5,6-bis(bromomethyl)-3-methylsulfanyl-benzo[b][1]benzothiepine Openeye Name: 5,6-bis(bromomethyl)-3-methylsulfanyl-benzo[b][1]benzothiepine CAS Name: 5,6-bis(bromomethyl)-3-(methylthio)benzo[b][1]benzothiepin IUPAC Name: 5,6-bis(bromomethyl)-3-methylsulfanylbenzo[b][1]benzothiepine Traditional Name: 5,6-bis(bromomethyl)-3-(methylthio)benzo[b][1]benzothiepin Formula: C17H14Br2S2 MolecularWeight: 442.23106

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)SC3=CC=CC=C3C(=C2CBr)CBr

Isomeric SMILES

CSC1=CC2=C(C=C1)SC3=CC=CC=C3C(=C2CBr)CBr

InChI

InChI=1S/C17H14Br2S2/c1-20-11-6-7-17-13(8-11)15(10-19)14(9-18)12-4-2-3-5-16(12)21-17/h2-8H,9-10H2,1H3