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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC#N)COC2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C(=NN=C1SCCC#N)COC2=CC=C(C=C2)Cl

InChI

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