1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3-[(3-nitrophenyl)amino]propan-2-ol

Systemtic Name: 1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3-[(3-nitrophenyl)amino]propan-2-ol Openeye Name: 1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3-(3-nitroanilino)propan-2-ol CAS Name: 1-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-3-(3-nitroanilino)-2-propanol IUPAC Name: 1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3-(3-nitroanilino)propan-2-ol Traditional Name: 1-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-3-(3-nitroanilino)propan-2-ol Formula: C24H21N5O3S MolecularWeight: 459.52024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(CNC3=CC(=CC=C3)[N+](=O)[O-])O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(CNC3=CC(=CC=C3)[N+](=O)[O-])O)C4=CC=CC=C4

InChI

InChI=1S/C24H21N5O3S/c30-21(15-25-19-12-7-13-20(14-19)29(31)32)16-33-24-26-22(17-8-3-1-4-9-17)23(27-28-24)18-10-5-2-6-11-18/h1-14,21,25,30H,15-16H2