4-[(4-iodophenyl)methylamino]benzenecarbonitrile; 1H-1,2,4-triazole

Systemtic Name: 4-[(4-iodophenyl)methylamino]benzenecarbonitrile; 1H-1,2,4-triazole Openeye Name: 4-[(4-iodophenyl)methylamino]benzonitrile; 1H-1,2,4-triazole CAS Name: 4-[(4-iodophenyl)methylamino]benzonitrile; 1H-1,2,4-triazole IUPAC Name: 4-[(4-iodophenyl)methylamino]benzonitrile; 1H-1,2,4-triazole Traditional Name: 4-[(4-iodobenzyl)amino]benzonitrile; 1H-1,2,4-triazole Formula: C16H14IN5 MolecularWeight: 403.22033

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=CC=C(C=C2)C#N)I.C1=NC=NN1

Isomeric SMILES

C1=CC(=CC=C1CNC2=CC=C(C=C2)C#N)I.C1=NC=NN1

InChI

InChI=1S/C14H11IN2.C2H3N3/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14;1-3-2-5-4-1/h1-8,17H,10H2;1-2H,(H,3,4,5)