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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(CCC#N)C#N

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SC[C@H](CCC#N)C#N

InChI

InChI=1S/C15H15N5S/c1-12-18-19-15(20(12)14-7-3-2-4-8-14)21-11-13(10-17)6-5-9-16/h2-4,7-8,13H,5-6,11H2,1H3/t13-/m1/s1