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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC#N)COC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC#N)COC3=CC=CC4=CC=CC=C43

InChI

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