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

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C12H11ClN4OS MolecularWeight: 294.75994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN4OS/c1-17-11(15-16-12(17)19-7-6-14)8-18-10-4-2-9(13)3-5-10/h2-5H,7-8H2,1H3