4-[(4-bromophenyl)methyl-(1,2,4-triazin-3-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(4-bromophenyl)methyl-(1,2,4-triazin-3-yl)amino]benzenecarbonitrile Openeye Name: 4-[(4-bromophenyl)methyl-(1,2,4-triazin-3-yl)amino]benzonitrile CAS Name: 4-[(4-bromophenyl)methyl-(1,2,4-triazin-3-yl)amino]benzonitrile IUPAC Name: 4-[(4-bromophenyl)methyl-(1,2,4-triazin-3-yl)amino]benzonitrile Traditional Name: 4-[(4-bromobenzyl)-(1,2,4-triazin-3-yl)amino]benzonitrile Formula: C17H12BrN5 MolecularWeight: 366.21468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(C2=CC=C(C=C2)C#N)C3=NC=CN=N3)Br

Isomeric SMILES

C1=CC(=CC=C1CN(C2=CC=C(C=C2)C#N)C3=NC=CN=N3)Br

InChI

InChI=1S/C17H12BrN5/c18-15-5-1-14(2-6-15)12-23(17-20-9-10-21-22-17)16-7-3-13(11-19)4-8-16/h1-10H,12H2