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

Systemtic Name: propan-2-yl 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-16(2)28-20(27)15-29-22-25-24-21(26(22)19-9-7-6-8-10-19)17-11-13-18(14-12-17)23(3,4)5/h6-14,16H,15H2,1-5H3