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

Systemtic Name: ethyl 2-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3S/c1-2-28-18(27)13-22-17(26)14-29-21-23-19(15-9-5-3-6-10-15)20(24-25-21)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,22,26)