(2R)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile

Systemtic Name: (2R)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]glutaronitrile Formula: C15H15N5S MolecularWeight: 297.3781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(CCC#N)C#N)C2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1SC[C@H](CCC#N)C#N)C2=CC=CC=C2

InChI

InChI=1S/C15H15N5S/c1-20-14(13-7-3-2-4-8-13)18-19-15(20)21-11-12(10-17)6-5-9-16/h2-4,7-8,12H,5-6,11H2,1H3/t12-/m1/s1