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

Systemtic Name: propan-2-yl 2-[[5-[(3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[5-[(3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[5-[(3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)OC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)OC(C)C

InChI

InChI=1S/C21H23N3O3S/c1-15(2)27-20(25)14-28-21-23-22-19(24(21)17-9-5-4-6-10-17)13-26-18-11-7-8-16(3)12-18/h4-12,15H,13-14H2,1-3H3