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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC(=NN2)SCC#N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC(=NN2)SCC#N)Cl

InChI

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