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

Systemtic Name: methyl (2R)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl (2R)-2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2R)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: (2R)-2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C17H17N3O2S2 MolecularWeight: 359.46578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

C[C@H](C(=O)OC)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C17H17N3O2S2/c1-12(16(21)22-2)24-17-19-18-15(14-9-6-10-23-14)20(17)11-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3/t12-/m1/s1