2-[[4-(4-methoxyphenyl)-5-(naphthalen-2-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-(naphthalen-2-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(2-naphthyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(4-methoxyphenyl)-5-(2-naphthalenyloxymethyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-(naphthalen-2-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(2-naphthoxymethyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C22H18N4O2S MolecularWeight: 402.46892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC#N)COC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC#N)COC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H18N4O2S/c1-27-19-10-7-18(8-11-19)26-21(24-25-22(26)29-13-12-23)15-28-20-9-6-16-4-2-3-5-17(16)14-20/h2-11,14H,13,15H2,1H3