3-(5,6-diphenyl-1,2,4-triazin-3-yl)aniline; ethanoic acid

Systemtic Name: 3-(5,6-diphenyl-1,2,4-triazin-3-yl)aniline; ethanoic acid Openeye Name: acetic acid; 3-(5,6-diphenyl-1,2,4-triazin-3-yl)aniline CAS Name: acetic acid; 3-(5,6-diphenyl-1,2,4-triazin-3-yl)aniline IUPAC Name: acetic acid; 3-(5,6-diphenyl-1,2,4-triazin-3-yl)aniline Traditional Name: acetic acid; [3-(5,6-diphenyl-1,2,4-triazin-3-yl)phenyl]amine Formula: C23H20N4O2 MolecularWeight: 384.4305

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)C2=C(N=NC(=N2)C3=CC(=CC=C3)N)C4=CC=CC=C4

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)C2=C(N=NC(=N2)C3=CC(=CC=C3)N)C4=CC=CC=C4

InChI

InChI=1S/C21H16N4.C2H4O2/c22-18-13-7-12-17(14-18)21-23-19(15-8-3-1-4-9-15)20(24-25-21)16-10-5-2-6-11-16;1-2(3)4/h1-14H,22H2;1H3,(H,3,4)