(phenylmethyl) 1-(3-ethanoylsulfanylpropanoyl)-4-methyl-3-phenyl-5,6-dihydro-1,2,4-triazine-6-carboxylate

Systemtic Name: (phenylmethyl) 1-(3-ethanoylsulfanylpropanoyl)-4-methyl-3-phenyl-5,6-dihydro-1,2,4-triazine-6-carboxylate Openeye Name: benzyl 1-(3-acetylsulfanylpropanoyl)-4-methyl-3-phenyl-5,6-dihydro-1,2,4-triazine-6-carboxylate CAS Name: 1-[3-(acetylthio)-1-oxopropyl]-4-methyl-3-phenyl-5,6-dihydro-1,2,4-triazine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(3-acetylsulfanylpropanoyl)-4-methyl-3-phenyl-5,6-dihydro-1,2,4-triazine-6-carboxylate Traditional Name: 1-[3-(acetylthio)propanoyl]-4-methyl-3-phenyl-5,6-dihydro-1,2,4-triazine-6-carboxylic acid benzyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1C(CN(C(=N1)C2=CC=CC=C2)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCCC(=O)N1C(CN(C(=N1)C2=CC=CC=C2)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4S/c1-17(27)31-14-13-21(28)26-20(23(29)30-16-18-9-5-3-6-10-18)15-25(2)22(24-26)19-11-7-4-8-12-19/h3-12,20H,13-16H2,1-2H3