2-[[tert-butyl-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]pentanedinitrile

Systemtic Name: 2-[[tert-butyl-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]pentanedinitrile Openeye Name: 2-[[tert-butyl-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)amino]methyl]pentanedinitrile CAS Name: 2-[[tert-butyl-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]pentanedinitrile IUPAC Name: 2-[[tert-butyl-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]pentanedinitrile Traditional Name: 2-[[tert-butyl-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)amino]methyl]glutaronitrile Formula: C12H17N5S2 MolecularWeight: 295.42688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC(CCC#N)C#N)C1=NNC(=S)S1

Isomeric SMILES

CC(C)(C)N(CC(CCC#N)C#N)C1=NNC(=S)S1

InChI

InChI=1S/C12H17N5S2/c1-12(2,3)17(10-15-16-11(18)19-10)8-9(7-14)5-4-6-13/h9H,4-5,8H2,1-3H3,(H,16,18)