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

Systemtic Name: (2R)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]glutaronitrile Formula: C16H16N6S MolecularWeight: 324.40344

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(CCC#N)C#N)C2=CC=NC=C2

Isomeric SMILES

C=CCN1C(=NN=C1SC[C@H](CCC#N)C#N)C2=CC=NC=C2

InChI

InChI=1S/C16H16N6S/c1-2-10-22-15(14-5-8-19-9-6-14)20-21-16(22)23-12-13(11-18)4-3-7-17/h2,5-6,8-9,13H,1,3-4,10,12H2/t13-/m1/s1