4-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]methyl]benzoate

Systemtic Name: 4-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: 4-[[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-oxoethyl]amino]methyl]benzoate IUPAC Name: 4-[[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetyl]amino]methyl]benzoate Formula: C25H19N4O3S- MolecularWeight: 455.50836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NCC3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NCC3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=C4

InChI

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