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

Systemtic Name: 2-[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C14H15ClN4OS MolecularWeight: 322.8131

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN4OS/c1-3-19-13(17-18-14(19)21-7-6-16)9-20-11-4-5-12(15)10(2)8-11/h4-5,8H,3,7,9H2,1-2H3