4-[[4-[4-bromanyl-2,6-bis(chloranyl)phenyl]sulfanylpyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-bromanyl-2,6-bis(chloranyl)phenyl]sulfanylpyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(4-bromo-2,6-dichloro-phenyl)sulfanylpyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[(4-bromo-2,6-dichlorophenyl)thio]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(4-bromo-2,6-dichlorophenyl)sulfanylpyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[(4-bromo-2,6-dichloro-phenyl)thio]pyrimidin-2-yl]amino]benzonitrile Formula: C17H9BrCl2N4S MolecularWeight: 452.15516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC2=NC=CC(=N2)SC3=C(C=C(C=C3Cl)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1C#N)NC2=NC=CC(=N2)SC3=C(C=C(C=C3Cl)Br)Cl

InChI

InChI=1S/C17H9BrCl2N4S/c18-11-7-13(19)16(14(20)8-11)25-15-5-6-22-17(24-15)23-12-3-1-10(9-21)2-4-12/h1-8H,(H,22,23,24)