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

Systemtic Name: (2R)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[(1-phenyl-5-tetrazolyl)thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[(1-phenyltetrazol-5-yl)thio]methyl]glutaronitrile Formula: C13H12N6S MolecularWeight: 284.33958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC(CCC#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SC[C@H](CCC#N)C#N

InChI

InChI=1S/C13H12N6S/c14-8-4-5-11(9-15)10-20-13-16-17-18-19(13)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,10H2/t11-/m1/s1