4-[1-(4-nitrophenyl)ethyl-(1H-1,2,4-triazol-5-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[1-(4-nitrophenyl)ethyl-(1H-1,2,4-triazol-5-yl)amino]benzenecarbonitrile Openeye Name: 4-[1-(4-nitrophenyl)ethyl-(1H-1,2,4-triazol-5-yl)amino]benzonitrile CAS Name: 4-[1-(4-nitrophenyl)ethyl-(1H-1,2,4-triazol-5-yl)amino]benzonitrile IUPAC Name: 4-[1-(4-nitrophenyl)ethyl-(1H-1,2,4-triazol-5-yl)amino]benzonitrile Traditional Name: 4-[1-(4-nitrophenyl)ethyl-(1H-1,2,4-triazol-5-yl)amino]benzonitrile Formula: C17H14N6O2 MolecularWeight: 334.33206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)[N+](=O)[O-])N(C2=CC=C(C=C2)C#N)C3=NC=NN3

Isomeric SMILES

CC(C1=CC=C(C=C1)[N+](=O)[O-])N(C2=CC=C(C=C2)C#N)C3=NC=NN3

InChI

InChI=1S/C17H14N6O2/c1-12(14-4-8-16(9-5-14)23(24)25)22(17-19-11-20-21-17)15-6-2-13(10-18)3-7-15/h2-9,11-12H,1H3,(H,19,20,21)