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

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

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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)O)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)O)C4=CC=CC=C4

InChI

InChI=1S/C25H20N4O3S/c30-21(26-20-13-11-19(12-14-20)24(31)32)15-16-33-25-27-22(17-7-3-1-4-8-17)23(28-29-25)18-9-5-2-6-10-18/h1-14H,15-16H2,(H,26,30)(H,31,32)