3-[[5-(tert-butylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl-(2-cyanoethyl)amino]propanenitrile

Systemtic Name: 3-[[5-(tert-butylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[[5-(tert-butylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[[5-(tert-butylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl-(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[[5-(tert-butylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[[5-(tert-butylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl-(2-cyanoethyl)amino]propionitrile Formula: C13H20N6S2 MolecularWeight: 324.4681

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NN(C(=S)S1)CN(CCC#N)CCC#N

Isomeric SMILES

CC(C)(C)NC1=NN(C(=S)S1)CN(CCC#N)CCC#N

InChI

InChI=1S/C13H20N6S2/c1-13(2,3)16-11-17-19(12(20)21-11)10-18(8-4-6-14)9-5-7-15/h4-5,8-10H2,1-3H3,(H,16,17)