6-(4-bromophenyl)-4-methylsulfanyl-2-oxidanylidene-pyran-3-carbonitrile

Systemtic Name: 6-(4-bromophenyl)-4-methylsulfanyl-2-oxidanylidene-pyran-3-carbonitrile Openeye Name: 6-(4-bromophenyl)-4-methylsulfanyl-2-oxo-pyran-3-carbonitrile CAS Name: 6-(4-bromophenyl)-4-(methylthio)-2-oxo-3-pyrancarbonitrile IUPAC Name: 6-(4-bromophenyl)-4-methylsulfanyl-2-oxopyran-3-carbonitrile Traditional Name: 6-(4-bromophenyl)-2-keto-4-(methylthio)pyran-3-carbonitrile Formula: C13H8BrNO2S MolecularWeight: 322.17712

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)OC(=C1)C2=CC=C(C=C2)Br)C#N

Isomeric SMILES

CSC1=C(C(=O)OC(=C1)C2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C13H8BrNO2S/c1-18-12-6-11(17-13(16)10(12)7-15)8-2-4-9(14)5-3-8/h2-6H,1H3