[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-propyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetic acid phthalimidomethyl ester Formula: C23H19N5O4S MolecularWeight: 461.49306

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)OCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)OCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H19N5O4S/c1-2-11-27-17-10-6-5-9-16(17)19-20(27)24-23(26-25-19)33-12-18(29)32-13-28-21(30)14-7-3-4-8-15(14)22(28)31/h3-10H,2,11-13H2,1H3