methyl 3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: methyl 3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CCC3=CC=CC=C3)SCCC(=O)OC

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CCC3=CC=CC=C3)SCCC(=O)OC

InChI

InChI=1S/C21H23N3O3S/c1-26-18-11-7-6-10-17(18)20-22-23-21(28-15-13-19(25)27-2)24(20)14-12-16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3