3-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-(2-cyanoethyl)amino]propanenitrile

Systemtic Name: 3-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[(5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[(5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl-(2-cyanoethyl)amino]propionitrile Formula: C13H20N6S MolecularWeight: 292.4031

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)N(N1)CN(CCC#N)CCC#N

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)CN(CCC#N)CCC#N

InChI

InChI=1S/C13H20N6S/c1-13(2,3)11-16-12(20)19(17-11)10-18(8-4-6-14)9-5-7-15/h4-5,8-10H2,1-3H3,(H,16,17,20)