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

Systemtic Name: 4-[2-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]thio]acetyl]amino]benzoic acid Formula: C26H22N4O5S MolecularWeight: 502.54168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H22N4O5S/c1-34-20-11-5-16(6-12-20)23-24(17-7-13-21(35-2)14-8-17)29-30-26(28-23)36-15-22(31)27-19-9-3-18(4-10-19)25(32)33/h3-14H,15H2,1-2H3,(H,27,31)(H,32,33)