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

Systemtic Name: methyl 2-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]acetate Traditional Name: 2-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetyl]amino]acetic acid methyl ester Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CNC(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H18N4O3S/c1-27-17(26)12-21-16(25)13-28-20-22-18(14-8-4-2-5-9-14)19(23-24-20)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,21,25)