naphthalen-1-ylmethyl 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: naphthalen-1-ylmethyl 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 1-naphthylmethyl 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]acetic acid 1-naphthylmethyl ester Formula: C23H21N3O2S MolecularWeight: 403.49674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)OCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)OCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H21N3O2S/c1-17-24-25-23(26(17)14-18-8-3-2-4-9-18)29-16-22(27)28-15-20-12-7-11-19-10-5-6-13-21(19)20/h2-13H,14-16H2,1H3