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

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C13H13ClN4OS MolecularWeight: 308.78652

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC#N)COC2=CC=C(C=C2)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC#N)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H13ClN4OS/c1-2-18-12(16-17-13(18)20-8-7-15)9-19-11-5-3-10(14)4-6-11/h3-6H,2,8-9H2,1H3