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

Systemtic Name: methyl 2-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoyl-methyl-amino]benzoate Openeye Name: methyl 2-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-methyl-amino]benzoate CAS Name: 2-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-oxoethyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-methylamino]benzoate Traditional Name: 2-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetyl]-methyl-amino]benzoic acid methyl ester Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H22N4O3S/c1-30(21-16-10-9-15-20(21)25(32)33-2)22(31)17-34-26-27-23(18-11-5-3-6-12-18)24(28-29-26)19-13-7-4-8-14-19/h3-16H,17H2,1-2H3