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

Systemtic Name: 2-[[5-(naphthalen-1-yloxymethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-benzyl-5-(1-naphthyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(1-naphthalenyloxymethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-benzyl-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-benzyl-5-(1-naphthoxymethyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC#N)COC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC#N)COC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H18N4OS/c23-13-14-28-22-25-24-21(26(22)15-17-7-2-1-3-8-17)16-27-20-12-6-10-18-9-4-5-11-19(18)20/h1-12H,14-16H2