phenyl 2-[[3-(4-methoxy-3-methyl-phenyl)-4-methyl-2H-1,2,3-triazol-1-yl]sulfanyl]propanoate

Systemtic Name: phenyl 2-[[3-(4-methoxy-3-methyl-phenyl)-4-methyl-2H-1,2,3-triazol-1-yl]sulfanyl]propanoate Openeye Name: phenyl 2-[[3-(4-methoxy-3-methyl-phenyl)-4-methyl-2H-triazol-1-yl]sulfanyl]propanoate CAS Name: 2-[[3-(4-methoxy-3-methylphenyl)-4-methyl-2H-triazol-1-yl]thio]propanoic acid phenyl ester IUPAC Name: phenyl 2-[[3-(4-methoxy-3-methylphenyl)-4-methyl-2H-triazol-1-yl]sulfanyl]propanoate Traditional Name: 2-[[3-(4-methoxy-3-methyl-phenyl)-4-methyl-2H-triazol-1-yl]thio]propionic acid phenyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=CN(N2)SC(C)C(=O)OC3=CC=CC=C3)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=CN(N2)SC(C)C(=O)OC3=CC=CC=C3)C)OC

InChI

InChI=1S/C20H23N3O3S/c1-14-12-17(10-11-19(14)25-4)23-15(2)13-22(21-23)27-16(3)20(24)26-18-8-6-5-7-9-18/h5-13,16,21H,1-4H3