2-(6-nitro-4-phenethyl-3,5-dihydro-1,2,4-triazin-2-yl)benzenecarbonitrile

Systemtic Name: 2-(6-nitro-4-phenethyl-3,5-dihydro-1,2,4-triazin-2-yl)benzenecarbonitrile Openeye Name: 2-(6-nitro-4-phenethyl-3,5-dihydro-1,2,4-triazin-2-yl)benzonitrile CAS Name: 2-(6-nitro-4-phenethyl-3,5-dihydro-1,2,4-triazin-2-yl)benzonitrile IUPAC Name: 2-(6-nitro-4-phenethyl-3,5-dihydro-1,2,4-triazin-2-yl)benzonitrile Traditional Name: 2-(6-nitro-4-phenethyl-3,5-dihydro-1,2,4-triazin-2-yl)benzonitrile Formula: C18H17N5O2 MolecularWeight: 335.35988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(CN1CCC2=CC=CC=C2)C3=CC=CC=C3C#N)[N+](=O)[O-]

Isomeric SMILES

C1C(=NN(CN1CCC2=CC=CC=C2)C3=CC=CC=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O2/c19-12-16-8-4-5-9-17(16)22-14-21(13-18(20-22)23(24)25)11-10-15-6-2-1-3-7-15/h1-9H,10-11,13-14H2