phenanthridin-6-ylmethyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: phenanthridin-6-ylmethyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: phenanthridin-6-ylmethyl 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid phenanthridin-6-ylmethyl ester Formula: C24H20N4O2S2 MolecularWeight: 460.5712

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)C5=CC=CS5

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)C5=CC=CS5

InChI

InChI=1S/C24H20N4O2S2/c1-2-28-23(21-12-7-13-31-21)26-27-24(28)32-15-22(29)30-14-20-18-10-4-3-8-16(18)17-9-5-6-11-19(17)25-20/h3-13H,2,14-15H2,1H3