bromanyl 2-(4-methylsulfanylphenyl)azulene-1-carboxylate

Systemtic Name: bromanyl 2-(4-methylsulfanylphenyl)azulene-1-carboxylate Openeye Name: bromo 2-(4-methylsulfanylphenyl)azulene-1-carboxylate CAS Name: 2-[4-(methylthio)phenyl]-1-azulenecarboxylic acid bromo ester IUPAC Name: bromo 2-(4-methylsulfanylphenyl)azulene-1-carboxylate Traditional Name: 2-[4-(methylthio)phenyl]azulene-1-carboxylic acid bromo ester Formula: C18H13BrO2S MolecularWeight: 373.26362

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC3=CC=CC=CC3=C2C(=O)OBr

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC3=CC=CC=CC3=C2C(=O)OBr

InChI

InChI=1S/C18H13BrO2S/c1-22-14-9-7-12(8-10-14)16-11-13-5-3-2-4-6-15(13)17(16)18(20)21-19/h2-11H,1H3