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

Systemtic Name: 2-[[4-ethyl-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-ethyl-5-(1-naphthyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-ethyl-5-(1-naphthalenyloxymethyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-ethyl-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-ethyl-5-(1-naphthoxymethyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC#N)COC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCN1C(=NN=C1SCC#N)COC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C17H16N4OS/c1-2-21-16(19-20-17(21)23-11-10-18)12-22-15-9-5-7-13-6-3-4-8-14(13)15/h3-9H,2,11-12H2,1H3