methyl (2R)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: methyl (2R)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl (2R)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2R)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2R)-2-[(5-phenyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]propionic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2S[C@H](C)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3S/c1-4-26-17-12-10-16(11-13-17)23-18(15-8-6-5-7-9-15)21-22-20(23)27-14(2)19(24)25-3/h5-14H,4H2,1-3H3/t14-/m1/s1