3-bromanyl-4-(phenylmethylsulfanyl)-1H-isothiochromene

Systemtic Name: 3-bromanyl-4-(phenylmethylsulfanyl)-1H-isothiochromene Openeye Name: 4-benzylsulfanyl-3-bromo-1H-isothiochromene CAS Name: 3-bromo-4-(phenylmethylthio)-1H-2-benzothiopyran IUPAC Name: 4-benzylsulfanyl-3-bromo-1H-isothiochromene Traditional Name: 4-(benzylthio)-3-bromo-1H-isothiochromene Formula: C16H13BrS2 MolecularWeight: 349.30842

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=C(S1)Br)SCC3=CC=CC=C3

Isomeric SMILES

C1C2=CC=CC=C2C(=C(S1)Br)SCC3=CC=CC=C3

InChI

InChI=1S/C16H13BrS2/c17-16-15(18-10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)11-19-16/h1-9H,10-11H2