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

Systemtic Name: propan-2-yl 2-[[5-[[(4-ethoxyphenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[5-[(4-ethoxyanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-ethoxyanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[5-[(4-ethoxyanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-(p-phenetidinomethyl)-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)OC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)OC(C)C

InChI

InChI=1S/C22H26N4O3S/c1-4-28-19-12-10-17(11-13-19)23-14-20-24-25-22(30-15-21(27)29-16(2)3)26(20)18-8-6-5-7-9-18/h5-13,16,23H,4,14-15H2,1-3H3