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

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

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H21N5O2S/c1-16(24(32)27-20-14-12-19(13-15-20)23(26)31)33-25-28-21(17-8-4-2-5-9-17)22(29-30-25)18-10-6-3-7-11-18/h2-16H,1H3,(H2,26,31)(H,27,32)