3-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C14H16N4OS MolecularWeight: 288.36804

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC#N)C2=CC=CC=C2OC

Isomeric SMILES

CCN1C(=NN=C1SCCC#N)C2=CC=CC=C2OC

InChI

InChI=1S/C14H16N4OS/c1-3-18-13(11-7-4-5-8-12(11)19-2)16-17-14(18)20-10-6-9-15/h4-5,7-8H,3,6,10H2,1-2H3