propan-2-yl 2-[[5-[(4-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[[5-[(4-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[5-[(4-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[5-[(4-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S/c1-14(2)29-19(25)13-30-20-22-21-18(23(20)15-6-4-3-5-7-15)12-28-17-10-8-16(9-11-17)24(26)27/h3-11,14H,12-13H2,1-2H3