ethyl 2-[[5-[5-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]pentyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[5-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]pentyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[5-(1,3-dioxobenzo[de]isoquinolin-2-yl)pentyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[5-(1,3-dioxo-2-benzo[de]isoquinolinyl)pentyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[5-(1,3-dioxobenzo[de]isoquinolin-2-yl)pentyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[5-(1,3-diketobenzo[de]isoquinolin-2-yl)pentyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C29H28N4O4S MolecularWeight: 528.62202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CCCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CCCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C29H28N4O4S/c1-2-37-25(34)19-38-29-31-30-24(33(29)21-13-5-3-6-14-21)17-7-4-8-18-32-27(35)22-15-9-11-20-12-10-16-23(26(20)22)28(32)36/h3,5-6,9-16H,2,4,7-8,17-19H2,1H3