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

Systemtic Name: 4-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetyl]amino]benzoic acid Formula: C24H18N4O3S MolecularWeight: 442.48972

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H18N4O3S/c29-20(25-19-13-11-18(12-14-19)23(30)31)15-32-24-26-21(16-7-3-1-4-8-16)22(27-28-24)17-9-5-2-6-10-17/h1-14H,15H2,(H,25,29)(H,30,31)