2-[3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanoylamino]benzamide

Systemtic Name: 2-[3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanoylamino]benzamide Openeye Name: 2-[3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanoylamino]benzamide CAS Name: 2-[[3-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 2-[3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanoylamino]benzamide Traditional Name: 2-[3-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]propanoylamino]benzamide Formula: C25H21N5O2S MolecularWeight: 455.53154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCCC(=O)NC3=CC=CC=C3C(=O)N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCCC(=O)NC3=CC=CC=C3C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C25H21N5O2S/c26-24(32)19-13-7-8-14-20(19)27-21(31)15-16-33-25-28-22(17-9-3-1-4-10-17)23(29-30-25)18-11-5-2-6-12-18/h1-14H,15-16H2,(H2,26,32)(H,27,31)