6-(4-bromophenyl)-2-phenacylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-bromophenyl)-2-phenacylsulfanyl-pyridine-3-carbonitrile Openeye Name: 6-(4-bromophenyl)-2-phenacylsulfanyl-pyridine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-2-(phenacylthio)-3-pyridinecarbonitrile IUPAC Name: 6-(4-bromophenyl)-2-phenacylsulfanylpyridine-3-carbonitrile Traditional Name: 6-(4-bromophenyl)-2-(phenacylthio)nicotinonitrile Formula: C20H13BrN2OS MolecularWeight: 409.29902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=C(C=CC(=N2)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=C(C=CC(=N2)C3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C20H13BrN2OS/c21-17-9-6-14(7-10-17)18-11-8-16(12-22)20(23-18)25-13-19(24)15-4-2-1-3-5-15/h1-11H,13H2