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

Systemtic Name: (2R)-2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]glutaronitrile Formula: C20H18N6S MolecularWeight: 374.46212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(CCC#N)C#N)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SC[C@H](CCC#N)C#N)C3=CN=CC=C3

InChI

InChI=1S/C20H18N6S/c21-10-4-8-17(12-22)15-27-20-25-24-19(18-9-5-11-23-13-18)26(20)14-16-6-2-1-3-7-16/h1-3,5-7,9,11,13,17H,4,8,14-15H2/t17-/m1/s1