2-azanyl-6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-(3-fluorophenyl)dinicotinonitrile Formula: C21H12BrFN4OS MolecularWeight: 467.313583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C2=C(C(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Br)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)F)C2=C(C(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Br)N)C#N

InChI

InChI=1S/C21H12BrFN4OS/c22-14-6-4-12(5-7-14)18(28)11-29-21-17(10-25)19(16(9-24)20(26)27-21)13-2-1-3-15(23)8-13/h1-8H,11H2,(H2,26,27)