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

Systemtic Name: 3-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanoylamino]benzoic acid Openeye Name: 3-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanoylamino]benzoic acid CAS Name: 3-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanoylamino]benzoic acid Traditional Name: 3-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]propanoylamino]benzoic acid Formula: C25H20N4O3S MolecularWeight: 456.5163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N4O3S/c1-16(23(30)26-20-14-8-13-19(15-20)24(31)32)33-25-27-21(17-9-4-2-5-10-17)22(28-29-25)18-11-6-3-7-12-18/h2-16H,1H3,(H,26,30)(H,31,32)