2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C12H12N4OS MolecularWeight: 260.31488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC#N)COC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1SCC#N)COC2=CC=CC=C2

InChI

InChI=1S/C12H12N4OS/c1-16-11(14-15-12(16)18-8-7-13)9-17-10-5-3-2-4-6-10/h2-6H,8-9H2,1H3