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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4

InChI

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