propan-2-yl 2-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyloxy]ethanoate

Systemtic Name: propan-2-yl 2-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyloxy]ethanoate Openeye Name: isopropyl 2-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]oxyacetate CAS Name: 2-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-oxoethoxy]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]oxyacetate Traditional Name: 2-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetyl]oxyacetic acid isopropyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-15(2)28-18(25)13-27-19(26)14-29-21-23-22-20(16-9-5-3-6-10-16)24(21)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3