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

Systemtic Name: (2R)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: (2R)-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: (2R)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: (2R)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: (2R)-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C14H16N4S MolecularWeight: 272.36864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C#N)C2=CC=CC=C2C

Isomeric SMILES

CCN1C(=NN=C1S[C@H](C)C#N)C2=CC=CC=C2C

InChI

InChI=1S/C14H16N4S/c1-4-18-13(12-8-6-5-7-10(12)2)16-17-14(18)19-11(3)9-15/h5-8,11H,4H2,1-3H3/t11-/m1/s1