[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetate CAS Name: 2-[(6-phenyl-1,2,4-triazin-3-yl)thio]acetic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetate Traditional Name: 2-[(6-phenyl-1,2,4-triazin-3-yl)thio]acetic acid phthalimidomethyl ester Formula: C20H14N4O4S MolecularWeight: 406.41456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N=N2)SCC(=O)OCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N=N2)SCC(=O)OCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H14N4O4S/c25-17(28-12-24-18(26)14-8-4-5-9-15(14)19(24)27)11-29-20-21-10-16(22-23-20)13-6-2-1-3-7-13/h1-10H,11-12H2