(2R)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile

Systemtic Name: (2R)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: (2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: (2R)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanenitrile IUPAC Name: (2R)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: (2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C13H13N5S MolecularWeight: 271.34082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1CC=C)C2=CC=NC=C2

Isomeric SMILES

C[C@H](C#N)SC1=NN=C(N1CC=C)C2=CC=NC=C2

InChI

InChI=1S/C13H13N5S/c1-3-8-18-12(11-4-6-15-7-5-11)16-17-13(18)19-10(2)9-14/h3-7,10H,1,8H2,2H3/t10-/m1/s1