3-(2-methylpropylsulfanyl)-6H-benzo[b][1]benzothiepin-5-one

Systemtic Name: 3-(2-methylpropylsulfanyl)-6H-benzo[b][1]benzothiepin-5-one Openeye Name: 3-isobutylsulfanyl-6H-benzo[b][1]benzothiepin-5-one CAS Name: 3-(2-methylpropylthio)-6H-benzo[b][1]benzothiepin-5-one IUPAC Name: 3-(2-methylpropylsulfanyl)-6H-benzo[b][1]benzothiepin-5-one Traditional Name: 3-(isobutylthio)-6H-benzo[b][1]benzothiepin-5-one Formula: C18H18OS2 MolecularWeight: 314.46492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

Isomeric SMILES

CC(C)CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

InChI

InChI=1S/C18H18OS2/c1-12(2)11-20-14-7-8-18-15(10-14)16(19)9-13-5-3-4-6-17(13)21-18/h3-8,10,12H,9,11H2,1-2H3