4-[[4-(4-bromanyl-2-chloranyl-6-methyl-phenoxy)-1,3,5-triazin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-bromanyl-2-chloranyl-6-methyl-phenoxy)-1,3,5-triazin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(4-bromo-2-chloro-6-methyl-phenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile CAS Name: 4-[[4-(4-bromo-2-chloro-6-methylphenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile IUPAC Name: 4-[[4-(4-bromo-2-chloro-6-methylphenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(4-bromo-2-chloro-6-methyl-phenoxy)-s-triazin-2-yl]amino]benzonitrile Formula: C17H11BrClN5O MolecularWeight: 416.65914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC=NC(=N2)NC3=CC=C(C=C3)C#N)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC=NC(=N2)NC3=CC=C(C=C3)C#N)Cl)Br

InChI

InChI=1S/C17H11BrClN5O/c1-10-6-12(18)7-14(19)15(10)25-17-22-9-21-16(24-17)23-13-4-2-11(8-20)3-5-13/h2-7,9H,1H3,(H,21,22,23,24)