4-[(3,4-dichlorophenyl)methylamino]benzenecarbonitrile; 1H-1,2,4-triazole

Systemtic Name: 4-[(3,4-dichlorophenyl)methylamino]benzenecarbonitrile; 1H-1,2,4-triazole Openeye Name: 4-[(3,4-dichlorophenyl)methylamino]benzonitrile; 1H-1,2,4-triazole CAS Name: 4-[(3,4-dichlorophenyl)methylamino]benzonitrile; 1H-1,2,4-triazole IUPAC Name: 4-[(3,4-dichlorophenyl)methylamino]benzonitrile; 1H-1,2,4-triazole Traditional Name: 4-[(3,4-dichlorobenzyl)amino]benzonitrile; 1H-1,2,4-triazole Formula: C16H13Cl2N5 MolecularWeight: 346.21392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NCC2=CC(=C(C=C2)Cl)Cl.C1=NC=NN1

Isomeric SMILES

C1=CC(=CC=C1C#N)NCC2=CC(=C(C=C2)Cl)Cl.C1=NC=NN1

InChI

InChI=1S/C14H10Cl2N2.C2H3N3/c15-13-6-3-11(7-14(13)16)9-18-12-4-1-10(8-17)2-5-12;1-3-2-5-4-1/h1-7,18H,9H2;1-2H,(H,3,4,5)